(1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene

C20H32 — CID 6521442

IUPAC(1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
SMILESC/C1=C\C=C(\C(C)C)CC/C(C)=C/CC/C(C)=C/CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+,20-14+
InChIKeyUJUWZMUCEGGBOH-YBJPMODXSA-N
MW272.48 g/mol
LogP6.76
Rot. Bonds1

About (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene

(1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene (PubChem CID 6521442) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
PubChem CID6521442
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
SMILESC/C1=C\C=C(\C(C)C)CC/C(C)=C/CC/C(C)=C/CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+,20-14+
InChIKeyUJUWZMUCEGGBOH-YBJPMODXSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
The IUPAC name of (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene (CID 6521442) is (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene.
What is the SMILES notation for (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
The canonical SMILES for (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene is C/C1=C\C=C(\C(C)C)CC/C(C)=C/CC/C(C)=C/CC1.
What is the InChIKey of (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
The InChIKey is UJUWZMUCEGGBOH-YBJPMODXSA-N. The full InChI is InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+,20-14+.
What are the key properties of (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
(1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene has a molecular weight of 272.48 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene is sourced from PubChem (CID 6521442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).