(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one

C15H26O3 — CID 163190826

IUPAC(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one
SMILESC=CC(C)(O)CCCC(C)C(=O)/C=C/C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-15(5,18)10-7-8-12(2)13(16)9-11-14(3,4)17/h6,9,11-12,17-18H,1,7-8,10H2,2-5H3/b11-9+
InChIKeyPOBIEWKRMCMVFH-PKNBQFBNSA-N
MW254.37 g/mol
LogP2.63
Rot. Bonds8

About (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one

(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one (PubChem CID 163190826) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one.

Molecular Properties

Compound Name(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one
PubChem CID163190826
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one
SMILESC=CC(C)(O)CCCC(C)C(=O)/C=C/C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-15(5,18)10-7-8-12(2)13(16)9-11-14(3,4)17/h6,9,11-12,17-18H,1,7-8,10H2,2-5H3/b11-9+
InChIKeyPOBIEWKRMCMVFH-PKNBQFBNSA-N
XLogP2.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S)-Oleuropeic acid
CID 12313716
Oleuropeic acid
CID 188320
3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
(4S)-4-hydroxy-2,3-dimethyl-5-methylidene-4-pentylcyclopent-2-en-1-one
CID 155549594
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
Grandilobatin C
CID 24899406
Indicumenone
CID 46173956
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
CID 11062797
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-
CID 28809
8-Hydroxy-p-menth-4-en-3-one
CID 556628
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
Grandilobatin E
CID 44585761

Frequently Asked Questions

What is the IUPAC name of (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one?
The IUPAC name of (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one (CID 163190826) is (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one.
What is the SMILES notation for (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one?
The canonical SMILES for (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one is C=CC(C)(O)CCCC(C)C(=O)/C=C/C(C)(C)O.
What is the InChIKey of (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one?
The InChIKey is POBIEWKRMCMVFH-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-15(5,18)10-7-8-12(2)13(16)9-11-14(3,4)17/h6,9,11-12,17-18H,1,7-8,10H2,2-5H3/b11-9+.
What are the key properties of (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one?
(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one has a molecular weight of 254.37 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one is sourced from PubChem (CID 163190826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).