(9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one

C15H20O2 — CID 142943692

IUPAC(9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one
SMILESC=C/C=C\C(=C)CC(O)C(=C)CC(=C)C(C)=O
InChIInChI=1S/C15H20O2/c1-6-7-8-11(2)9-15(17)13(4)10-12(3)14(5)16/h6-8,15,17H,1-4,9-10H2,5H3/b8-7-
InChIKeyCRKBXCSBURBYON-FPLPWBNLSA-N
MW232.32 g/mol
LogP3.13
Rot. Bonds8

About (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one

(9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one (PubChem CID 142943692) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one.

Molecular Properties

Compound Name(9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one
PubChem CID142943692
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one
SMILESC=C/C=C\C(=C)CC(O)C(=C)CC(=C)C(C)=O
InChIInChI=1S/C15H20O2/c1-6-7-8-11(2)9-15(17)13(4)10-12(3)14(5)16/h6-8,15,17H,1-4,9-10H2,5H3/b8-7-
InChIKeyCRKBXCSBURBYON-FPLPWBNLSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one?
The IUPAC name of (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one (CID 142943692) is (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one.
What is the SMILES notation for (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one?
The canonical SMILES for (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one is C=C/C=C\C(=C)CC(O)C(=C)CC(=C)C(C)=O.
What is the InChIKey of (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one?
The InChIKey is CRKBXCSBURBYON-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H20O2/c1-6-7-8-11(2)9-15(17)13(4)10-12(3)14(5)16/h6-8,15,17H,1-4,9-10H2,5H3/b8-7-.
What are the key properties of (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one?
(9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one is sourced from PubChem (CID 142943692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).