5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane

C17H30 — CID 20822617

IUPAC5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane
SMILESC=CCCCC(=C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H30/c1-7-8-9-10-14(2)15-11-16(3,4)13-17(5,6)12-15/h7,15H,1-2,8-13H2,3-6H3
InChIKeyHBZMHYVFNWPJLL-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.75
Rot. Bonds5

About 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane

5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane (PubChem CID 20822617) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane.

Molecular Properties

Compound Name5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane
PubChem CID20822617
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane
SMILESC=CCCCC(=C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H30/c1-7-8-9-10-14(2)15-11-16(3,4)13-17(5,6)12-15/h7,15H,1-2,8-13H2,3-6H3
InChIKeyHBZMHYVFNWPJLL-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane?
The IUPAC name of 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane (CID 20822617) is 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane.
What is the SMILES notation for 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane?
The canonical SMILES for 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane is C=CCCCC(=C)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane?
The InChIKey is HBZMHYVFNWPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-7-8-9-10-14(2)15-11-16(3,4)13-17(5,6)12-15/h7,15H,1-2,8-13H2,3-6H3.
What are the key properties of 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane?
5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane has a molecular weight of 234.43 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hepta-1,6-dien-2-yl-1,1,3,3-tetramethylcyclohexane is sourced from PubChem (CID 20822617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).