(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one

C20H32O2 — CID 163027409

IUPAC(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CC(=O)C=C(C)C
InChIInChI=1S/C20H32O2/c1-7-20(6,22)13-9-12-17(4)10-8-11-18(5)15-19(21)14-16(2)3/h7,11-12,14,22H,1,8-10,13,15H2,2-6H3/b17-12+,18-11+/t20-/m1/s1
InChIKeyIUGQCWFPNKBCFB-KCCFWXKLSA-N
MW304.47 g/mol
LogP5.30
Rot. Bonds10

About (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one

(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one (PubChem CID 163027409) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one.

Molecular Properties

Compound Name(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
PubChem CID163027409
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CC(=O)C=C(C)C
InChIInChI=1S/C20H32O2/c1-7-20(6,22)13-9-12-17(4)10-8-11-18(5)15-19(21)14-16(2)3/h7,11-12,14,22H,1,8-10,13,15H2,2-6H3/b17-12+,18-11+/t20-/m1/s1
InChIKeyIUGQCWFPNKBCFB-KCCFWXKLSA-N
XLogP5.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.30
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'}

Analyze (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one with MolForge

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Related Compounds

(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
11-hydroxy-1-methoxy-3,7,11-trimethyltrideca-3,7,12-trien-2-one
CID 57042220
10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
CID 162816980
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
acetic acid;nonan-2-one;3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CID 159991235
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
(4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one
CID 6441887
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one?
The IUPAC name of (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one (CID 163027409) is (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one.
What is the SMILES notation for (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one?
The canonical SMILES for (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one is C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CC(=O)C=C(C)C.
What is the InChIKey of (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one?
The InChIKey is IUGQCWFPNKBCFB-KCCFWXKLSA-N. The full InChI is InChI=1S/C20H32O2/c1-7-20(6,22)13-9-12-17(4)10-8-11-18(5)15-19(21)14-16(2)3/h7,11-12,14,22H,1,8-10,13,15H2,2-6H3/b17-12+,18-11+/t20-/m1/s1.
What are the key properties of (6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one?
(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one has a molecular weight of 304.47 g/mol, XLogP of 5.30, 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-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one is sourced from PubChem (CID 163027409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).