3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene

C20H30 — CID 123202578

IUPAC3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
SMILESCC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C20H30/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,9-12,14-16H,8,13H2,1-6H3
InChIKeyAGITVXJLAYAIDJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.70
Rot. Bonds7

About 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene

3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene (PubChem CID 123202578) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
PubChem CID123202578
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
SMILESCC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C20H30/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,9-12,14-16H,8,13H2,1-6H3
InChIKeyAGITVXJLAYAIDJ-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
CID 21145326
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
CID 163002608
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
CID 173093653
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096
3,7,11-trimethyldodeca-2,4,6,10-tetraenal
CID 549769
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenal
CID 175857792
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
CID 58792498
(2Z,4E,6E,8E,10E,12E,14E)-7,11,15,19-tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaenyl]icosa-2,4,6,8,10,12,14,18-octaenal
CID 151526164

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene?
The IUPAC name of 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene (CID 123202578) is 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene.
What is the SMILES notation for 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene?
The canonical SMILES for 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene is CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene?
The InChIKey is AGITVXJLAYAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,9-12,14-16H,8,13H2,1-6H3.
What are the key properties of 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene?
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene has a molecular weight of 270.46 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene is sourced from PubChem (CID 123202578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).