(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol

C22H32O — CID 58633476

IUPAC(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol
SMILESCC(/C=C/C=C(\C)CO)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)C
InChIInChI=1S/C22H32O/c1-18(2)22(6)16-10-14-20(4)12-8-7-11-19(3)13-9-15-21(5)17-23/h7-16,18,23H,17H2,1-6H3/b8-7+,13-9+,14-10+,19-11+,20-12+,21-15+,22-16+
InChIKeyOFTYHTOPHGYTGK-KKTGUBQVSA-N
MW312.50 g/mol
LogP6.09
Rot. Bonds8

About (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol (PubChem CID 58633476) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol
PubChem CID58633476
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol
SMILESCC(/C=C/C=C(\C)CO)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)C
InChIInChI=1S/C22H32O/c1-18(2)22(6)16-10-14-20(4)12-8-7-11-19(3)13-9-15-21(5)17-23/h7-16,18,23H,17H2,1-6H3/b8-7+,13-9+,14-10+,19-11+,20-12+,21-15+,22-16+
InChIKeyOFTYHTOPHGYTGK-KKTGUBQVSA-N
XLogP6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87914348
(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-1-ol
CID 5280991
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CID 11993594
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CID 162947696
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2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
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(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
CID 130346405
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
CID 73229485
(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene
CID 173080866
4-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 131751907

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol?
The IUPAC name of (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol (CID 58633476) is (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol?
The canonical SMILES for (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol is CC(/C=C/C=C(\C)CO)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)C.
What is the InChIKey of (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol?
The InChIKey is OFTYHTOPHGYTGK-KKTGUBQVSA-N. The full InChI is InChI=1S/C22H32O/c1-18(2)22(6)16-10-14-20(4)12-8-7-11-19(3)13-9-15-21(5)17-23/h7-16,18,23H,17H2,1-6H3/b8-7+,13-9+,14-10+,19-11+,20-12+,21-15+,22-16+.
What are the key properties of (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol?
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol has a molecular weight of 312.50 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol is sourced from PubChem (CID 58633476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).