(2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol

C20H32O — CID 10469408

IUPAC(2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol
SMILESCC(C)=C/C=C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H32O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h6,9-11,13,15,21H,7-8,12,14,16H2,1-5H3/b10-6+,18-11+,19-13+,20-15+
InChIKeyOTYIYOOKHMFXBC-UBZGHHIISA-N
MW288.48 g/mol
LogP5.90
Rot. Bonds9

About (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol

(2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol (PubChem CID 10469408) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol.

Molecular Properties

Compound Name(2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol
PubChem CID10469408
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol
SMILESCC(C)=C/C=C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H32O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h6,9-11,13,15,21H,7-8,12,14,16H2,1-5H3/b10-6+,18-11+,19-13+,20-15+
InChIKeyOTYIYOOKHMFXBC-UBZGHHIISA-N
XLogP5.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol?
The IUPAC name of (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol (CID 10469408) is (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol.
What is the SMILES notation for (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol?
The canonical SMILES for (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol is CC(C)=C/C=C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol?
The InChIKey is OTYIYOOKHMFXBC-UBZGHHIISA-N. The full InChI is InChI=1S/C20H32O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h6,9-11,13,15,21H,7-8,12,14,16H2,1-5H3/b10-6+,18-11+,19-13+,20-15+.
What are the key properties of (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol?
(2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,12E)-3,7,11,15-tetramethylhexadeca-2,6,10,12,14-pentaen-1-ol is sourced from PubChem (CID 10469408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).