(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one

C20H32O2 — CID 44584712

IUPAC(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one
SMILESCC(C)=CCC/C(C)=C/C(=O)C/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H32O2/c1-16(2)8-6-10-18(4)14-20(22)15-19(5)11-7-9-17(3)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-12+,18-14+,19-11+
InChIKeyNPMWNIILWACCCM-GNPICRTJSA-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-8-one

(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one (PubChem CID 44584712) 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-8-one.

Molecular Properties

Compound Name(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one
PubChem CID44584712
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-8-one
SMILESCC(C)=CCC/C(C)=C/C(=O)C/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H32O2/c1-16(2)8-6-10-18(4)14-20(22)15-19(5)11-7-9-17(3)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-12+,18-14+,19-11+
InChIKeyNPMWNIILWACCCM-GNPICRTJSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one?
The IUPAC name of (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one (CID 44584712) is (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one.
What is the SMILES notation for (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one?
The canonical SMILES for (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one is CC(C)=CCC/C(C)=C/C(=O)C/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-8-one?
The InChIKey is NPMWNIILWACCCM-GNPICRTJSA-N. The full InChI is InChI=1S/C20H32O2/c1-16(2)8-6-10-18(4)14-20(22)15-19(5)11-7-9-17(3)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-12+,18-14+,19-11+.
What are the key properties of (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one?
(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-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-8-one is sourced from PubChem (CID 44584712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).