(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one

C20H32O2 — CID 6439034

IUPAC(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H32O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+
InChIKeyHJFXJURSUUYZPR-GDVLXBNMSA-N
MW304.47 g/mol
LogP5.30
Rot. Bonds10

About (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one

(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one (PubChem CID 6439034) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one.

Molecular Properties

Compound Name(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one
PubChem CID6439034
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H32O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+
InChIKeyHJFXJURSUUYZPR-GDVLXBNMSA-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,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one with MolForge

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Related Compounds

(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one
CID 101648402
Chabrolobenzoquinone E
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(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 44586967
Hedaol B
CID 10062117
(3E,7E,10E)-10-(1-Hydroxypropan-2-ylidene)-3,7-dimethylcyclodeca-3,7-dien-1-one
CID 10399140
e-2-Methyl-2-hepten-6-one-1-ol
CID 10964618
(6E,14E)-16-hydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-triene-4,11-dione
CID 14681718
(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one
CID 14681720
(E)-8-hydroxy-6-methyl-6-octen-3-one
CID 643141
10-(1-Hydroxypropan-2-ylidene)-3,7-dimethylcyclodeca-3,7-dien-1-one
CID 74329201
(7E,10E)-10-(1-hydroxypropan-2-ylidene)-3,7-dimethylcyclodeca-3,7-dien-1-one
CID 44343332
4-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-dien-1-one
CID 44559680

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one?
The IUPAC name of (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one (CID 6439034) is (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one.
What is the SMILES notation for (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one?
The canonical SMILES for (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one is CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one?
The InChIKey is HJFXJURSUUYZPR-GDVLXBNMSA-N. The full InChI is InChI=1S/C20H32O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+.
What are the key properties of (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one?
(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-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,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one is sourced from PubChem (CID 6439034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).