(5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one

C14H24O2 — CID 10082364

IUPAC(5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one
SMILESC/C=C(C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CCC
InChIInChI=1S/C14H24O2/c1-6-8-13(15)12(5)14(16)11(4)9-10(3)7-2/h7,9,12,14,16H,6,8H2,1-5H3/b10-7+,11-9+/t12-,14+/m0/s1
InChIKeyDVSSWRPHWSGOFM-FNHOOIRLSA-N
MW224.34 g/mol
LogP3.27
Rot. Bonds6

About (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one

(5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one (PubChem CID 10082364) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one.

Molecular Properties

Compound Name(5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one
PubChem CID10082364
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one
SMILESC/C=C(C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CCC
InChIInChI=1S/C14H24O2/c1-6-8-13(15)12(5)14(16)11(4)9-10(3)7-2/h7,9,12,14,16H,6,8H2,1-5H3/b10-7+,11-9+/t12-,14+/m0/s1
InChIKeyDVSSWRPHWSGOFM-FNHOOIRLSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one?
The IUPAC name of (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one (CID 10082364) is (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one.
What is the SMILES notation for (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one?
The canonical SMILES for (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one is C/C=C(C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CCC.
What is the InChIKey of (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one?
The InChIKey is DVSSWRPHWSGOFM-FNHOOIRLSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-8-13(15)12(5)14(16)11(4)9-10(3)7-2/h7,9,12,14,16H,6,8H2,1-5H3/b10-7+,11-9+/t12-,14+/m0/s1.
What are the key properties of (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one?
(5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one has a molecular weight of 224.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7E,9E)-6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one is sourced from PubChem (CID 10082364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).