(5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one

C18H32O2 — CID 10149391

IUPAC(5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one
SMILESCC(=O)CC/C=C(\C)C/C=C/C(C)(O)CCCC(C)C
InChIInChI=1S/C18H32O2/c1-15(2)9-7-13-18(5,20)14-8-11-16(3)10-6-12-17(4)19/h8,10,14-15,20H,6-7,9,11-13H2,1-5H3/b14-8+,16-10+
InChIKeyLSEWQUIRTLNKHJ-ZMBCDGQDSA-N
MW280.45 g/mol
LogP4.83
Rot. Bonds10

About (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one

(5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one (PubChem CID 10149391) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one.

Molecular Properties

Compound Name(5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one
PubChem CID10149391
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one
SMILESCC(=O)CC/C=C(\C)C/C=C/C(C)(O)CCCC(C)C
InChIInChI=1S/C18H32O2/c1-15(2)9-7-13-18(5,20)14-8-11-16(3)10-6-12-17(4)19/h8,10,14-15,20H,6-7,9,11-13H2,1-5H3/b14-8+,16-10+
InChIKeyLSEWQUIRTLNKHJ-ZMBCDGQDSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one?
The IUPAC name of (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one (CID 10149391) is (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one.
What is the SMILES notation for (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one?
The canonical SMILES for (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one is CC(=O)CC/C=C(\C)C/C=C/C(C)(O)CCCC(C)C.
What is the InChIKey of (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one?
The InChIKey is LSEWQUIRTLNKHJ-ZMBCDGQDSA-N. The full InChI is InChI=1S/C18H32O2/c1-15(2)9-7-13-18(5,20)14-8-11-16(3)10-6-12-17(4)19/h8,10,14-15,20H,6-7,9,11-13H2,1-5H3/b14-8+,16-10+.
What are the key properties of (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one?
(5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one has a molecular weight of 280.45 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E)-10-hydroxy-6,10,14-trimethylpentadeca-5,8-dien-2-one is sourced from PubChem (CID 10149391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).