(6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one

C20H32O2 — CID 10470320

IUPAC(6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one
SMILESC=CC(C)(O)/C=C/C=C(\C)CC/C=C(\C)CC(=O)CC(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/h7,9,11-13,16,22H,1,8,10,14-15H2,2-6H3/b13-9+,17-12+,18-11+
InChIKeyBWVYDPUDOCVKRW-SRKGGPSLSA-N
MW304.47 g/mol
LogP5.16
Rot. Bonds10

About (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one

(6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one (PubChem CID 10470320) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one.

Molecular Properties

Compound Name(6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one
PubChem CID10470320
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one
SMILESC=CC(C)(O)/C=C/C=C(\C)CC/C=C(\C)CC(=O)CC(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/h7,9,11-13,16,22H,1,8,10,14-15H2,2-6H3/b13-9+,17-12+,18-11+
InChIKeyBWVYDPUDOCVKRW-SRKGGPSLSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one?
The IUPAC name of (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one (CID 10470320) is (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one.
What is the SMILES notation for (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one?
The canonical SMILES for (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one is C=CC(C)(O)/C=C/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C.
What is the InChIKey of (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one?
The InChIKey is BWVYDPUDOCVKRW-SRKGGPSLSA-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/h7,9,11-13,16,22H,1,8,10,14-15H2,2-6H3/b13-9+,17-12+,18-11+.
What are the key properties of (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one?
(6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one has a molecular weight of 304.47 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,12E)-14-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,12,15-tetraen-4-one is sourced from PubChem (CID 10470320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).