(6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one

C18H32O2 — CID 162843031

IUPAC(6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one
SMILESC/C(=C\CC[C@H](C)O)CC/C=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C18H32O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9-10,14,17,19H,6-8,11-13H2,1-5H3/b15-9+,16-10+/t17-/m0/s1
InChIKeyXWPVKPKUCAMTKK-RDZMKUIZSA-N
MW280.45 g/mol
LogP4.83
Rot. Bonds10

About (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one

(6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one (PubChem CID 162843031) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one.

Molecular Properties

Compound Name(6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one
PubChem CID162843031
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one
SMILESC/C(=C\CC[C@H](C)O)CC/C=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C18H32O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9-10,14,17,19H,6-8,11-13H2,1-5H3/b15-9+,16-10+/t17-/m0/s1
InChIKeyXWPVKPKUCAMTKK-RDZMKUIZSA-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 (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one?
The IUPAC name of (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one (CID 162843031) is (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one.
What is the SMILES notation for (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one?
The canonical SMILES for (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one is C/C(=C\CC[C@H](C)O)CC/C=C(\C)CC(=O)CC(C)C.
What is the InChIKey of (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one?
The InChIKey is XWPVKPKUCAMTKK-RDZMKUIZSA-N. The full InChI is InChI=1S/C18H32O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9-10,14,17,19H,6-8,11-13H2,1-5H3/b15-9+,16-10+/t17-/m0/s1.
What are the key properties of (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one?
(6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-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 (6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one is sourced from PubChem (CID 162843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).