(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene

C33H58 — CID 160792784

IUPAC(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC.CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H30.C16H28/c1-6-10-16(4)12-9-14-17(5)13-8-11-15(3)7-2;1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h10-11,14H,6-9,12-13H2,1-5H3;9-10,13H,6-8,11-12H2,1-5H3/b15-11+,16-10+,17-14+;15-9+,16-13+
InChIKeySCARRSWCMMFYDZ-BEBONWBQSA-N
MW454.83 g/mol
LogP12.02
Rot. Bonds15

About (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene

(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene (PubChem CID 160792784) has the molecular formula C33H58 and a molecular weight of 454.83 g/mol. Its IUPAC name is (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
PubChem CID160792784
Molecular FormulaC33H58
Molecular Weight454.83 g/mol
Exact Mass454.45
IUPAC Name(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC.CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H30.C16H28/c1-6-10-16(4)12-9-14-17(5)13-8-11-15(3)7-2;1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h10-11,14H,6-9,12-13H2,1-5H3;9-10,13H,6-8,11-12H2,1-5H3/b15-11+,16-10+,17-14+;15-9+,16-13+
InChIKeySCARRSWCMMFYDZ-BEBONWBQSA-N
XLogP12.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.83
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene with MolForge

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Related Compounds

(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E)-10-ethyl-2,6-dimethyldodeca-2,6,10-triene
CID 169000868
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321

Frequently Asked Questions

What is the IUPAC name of (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
The IUPAC name of (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene (CID 160792784) is (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
The canonical SMILES for (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene is CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC.CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
The InChIKey is SCARRSWCMMFYDZ-BEBONWBQSA-N. The full InChI is InChI=1S/C17H30.C16H28/c1-6-10-16(4)12-9-14-17(5)13-8-11-15(3)7-2;1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h10-11,14H,6-9,12-13H2,1-5H3;9-10,13H,6-8,11-12H2,1-5H3/b15-11+,16-10+,17-14+;15-9+,16-13+.
What are the key properties of (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene has a molecular weight of 454.83 g/mol, XLogP of 12.02, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 160792784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).