(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one

C20H34O2 — CID 162843826

IUPAC(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one
SMILESC=C[C@@](C)(O)CC/C=C(\C)CCC[C@H](C)C(=O)CC=C(C)C
InChIInChI=1S/C20H34O2/c1-7-20(6,22)15-9-11-17(4)10-8-12-18(5)19(21)14-13-16(2)3/h7,11,13,18,22H,1,8-10,12,14-15H2,2-6H3/b17-11+/t18-,20+/m0/s1
InChIKeyZDDXFQXJFFBYPQ-GOCHRTQFSA-N
MW306.49 g/mol
LogP5.38
Rot. Bonds11

About (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one

(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one (PubChem CID 162843826) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one.

Molecular Properties

Compound Name(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one
PubChem CID162843826
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one
SMILESC=C[C@@](C)(O)CC/C=C(\C)CCC[C@H](C)C(=O)CC=C(C)C
InChIInChI=1S/C20H34O2/c1-7-20(6,22)15-9-11-17(4)10-8-12-18(5)19(21)14-13-16(2)3/h7,11,13,18,22H,1,8-10,12,14-15H2,2-6H3/b17-11+/t18-,20+/m0/s1
InChIKeyZDDXFQXJFFBYPQ-GOCHRTQFSA-N
XLogP5.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.38
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 (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one?
The IUPAC name of (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one (CID 162843826) is (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one.
What is the SMILES notation for (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one?
The canonical SMILES for (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one is C=C[C@@](C)(O)CC/C=C(\C)CCC[C@H](C)C(=O)CC=C(C)C.
What is the InChIKey of (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one?
The InChIKey is ZDDXFQXJFFBYPQ-GOCHRTQFSA-N. The full InChI is InChI=1S/C20H34O2/c1-7-20(6,22)15-9-11-17(4)10-8-12-18(5)19(21)14-13-16(2)3/h7,11,13,18,22H,1,8-10,12,14-15H2,2-6H3/b17-11+/t18-,20+/m0/s1.
What are the key properties of (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one?
(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one has a molecular weight of 306.49 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one is sourced from PubChem (CID 162843826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).