3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene

C20H32 — CID 71424931

IUPAC3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
SMILESCC1=CCC(C(C)C)=C(C)C=CCCCC(C)=CCC1
InChIInChI=1S/C20H32/c1-16(2)20-15-14-18(4)12-9-11-17(3)10-7-6-8-13-19(20)5/h8,11,13-14,16H,6-7,9-10,12,15H2,1-5H3
InChIKeyHJEWZULMPKFXTB-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.76
Rot. Bonds1

About 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene

3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene (PubChem CID 71424931) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
PubChem CID71424931
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
SMILESCC1=CCC(C(C)C)=C(C)C=CCCCC(C)=CCC1
InChIInChI=1S/C20H32/c1-16(2)20-15-14-18(4)12-9-11-17(3)10-7-6-8-13-19(20)5/h8,11,13-14,16H,6-7,9-10,12,15H2,1-5H3
InChIKeyHJEWZULMPKFXTB-UHFFFAOYSA-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 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
The IUPAC name of 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene (CID 71424931) is 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene.
What is the SMILES notation for 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
The canonical SMILES for 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene is CC1=CCC(C(C)C)=C(C)C=CCCCC(C)=CCC1.
What is the InChIKey of 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
The InChIKey is HJEWZULMPKFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-16(2)20-15-14-18(4)12-9-11-17(3)10-7-6-8-13-19(20)5/h8,11,13-14,16H,6-7,9-10,12,15H2,1-5H3.
What are the key properties of 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-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 3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene is sourced from PubChem (CID 71424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).