(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene

C16H26 — CID 6443227

IUPAC(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
SMILESC=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+
InChIKeyCWLVBFJCJXHUCF-RNPYNJAESA-N
MW218.38 g/mol
LogP5.59
Rot. Bonds7

About (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene

(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene (PubChem CID 6443227) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
PubChem CID6443227
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
SMILESC=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+
InChIKeyCWLVBFJCJXHUCF-RNPYNJAESA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.59
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

(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
CID 58792498
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2E)-3,7-dimethylocta-2,6-dienal;prop-2-enal
CID 87385613
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
8,12-dimethylpentadeca-8,12,14-trienoic acid
CID 91146885
(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
CID 101345792

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene?
The IUPAC name of (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene (CID 6443227) is (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene.
What is the SMILES notation for (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene?
The canonical SMILES for (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene is C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene?
The InChIKey is CWLVBFJCJXHUCF-RNPYNJAESA-N. The full InChI is InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+.
What are the key properties of (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene?
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene has a molecular weight of 218.38 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene is sourced from PubChem (CID 6443227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).