Identification

PhytoHub ID
PHUB000131
Name
Ipomoeamarone
Synonyms
Not Available
CAS Number
Not Available
Average Mass
250.338
Monoisotopic Mass
250.156894568
Chemical Formula
C15H22O3
IUPAC Name
1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
InChI Key
WOFDWNOSFDVCDF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3
SMILES
CC(C)CC(=O)CC1(C)CCC(O1)C1=COC=C1
Structure

Calculated Properties

Solubility (ALOGPS)
4.08e-02 g/l
LogS (ALOGPS)
-3.79
LogP (ALOGPS)
3.39
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
5
Polar Surface Area
39.44
Refractivity
69.76970000000001
Polarizability
28.242794407268825
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.868678686284605
pKa (strongest acidic)
19.066194418788648
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Sweet potatoVegetables, Tubers PublicationsShow

Metabolism

No metabolism information available

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