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

C15H26O3 — CID 23844092

IUPAC(6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one
SMILESC=CC(C)(O)CC/C=C(/C)CCC(=O)C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-15(5,18)11-7-8-12(2)9-10-13(16)14(3,4)17/h6,8,17-18H,1,7,9-11H2,2-5H3/b12-8-
InChIKeyWWEQACPSSWTJIU-WQLSENKSSA-N
MW254.37 g/mol
LogP2.77
Rot. Bonds8

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

(6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one (PubChem CID 23844092) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one.

Molecular Properties

Compound Name(6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one
PubChem CID23844092
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one
SMILESC=CC(C)(O)CC/C=C(/C)CCC(=O)C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-15(5,18)11-7-8-12(2)9-10-13(16)14(3,4)17/h6,8,17-18H,1,7,9-11H2,2-5H3/b12-8-
InChIKeyWWEQACPSSWTJIU-WQLSENKSSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one?
The IUPAC name of (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one (CID 23844092) is (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one.
What is the SMILES notation for (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one?
The canonical SMILES for (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one is C=CC(C)(O)CC/C=C(/C)CCC(=O)C(C)(C)O.
What is the InChIKey of (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one?
The InChIKey is WWEQACPSSWTJIU-WQLSENKSSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-15(5,18)11-7-8-12(2)9-10-13(16)14(3,4)17/h6,8,17-18H,1,7,9-11H2,2-5H3/b12-8-.
What are the key properties of (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one?
(6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one has a molecular weight of 254.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-one is sourced from PubChem (CID 23844092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).