(6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane

C24H44 — CID 123326318

IUPAC(6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane
SMILESC=C(C)C(C(CC(C)(C)C)C1CCCCC1)C(C(=C)C)C(C)(C)C
InChIInChI=1S/C24H44/c1-17(2)21(22(18(3)4)24(8,9)10)20(16-23(5,6)7)19-14-12-11-13-15-19/h19-22H,1,3,11-16H2,2,4-10H3
InChIKeyVVKGLTNUWGQCLS-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.05
Rot. Bonds6

About (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane

(6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane (PubChem CID 123326318) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane.

Molecular Properties

Compound Name(6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane
PubChem CID123326318
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name(6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane
SMILESC=C(C)C(C(CC(C)(C)C)C1CCCCC1)C(C(=C)C)C(C)(C)C
InChIInChI=1S/C24H44/c1-17(2)21(22(18(3)4)24(8,9)10)20(16-23(5,6)7)19-14-12-11-13-15-19/h19-22H,1,3,11-16H2,2,4-10H3
InChIKeyVVKGLTNUWGQCLS-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane 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 (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane?
The IUPAC name of (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane (CID 123326318) is (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane.
What is the SMILES notation for (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane?
The canonical SMILES for (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane is C=C(C)C(C(CC(C)(C)C)C1CCCCC1)C(C(=C)C)C(C)(C)C.
What is the InChIKey of (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane?
The InChIKey is VVKGLTNUWGQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-17(2)21(22(18(3)4)24(8,9)10)20(16-23(5,6)7)19-14-12-11-13-15-19/h19-22H,1,3,11-16H2,2,4-10H3.
What are the key properties of (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane?
(6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-2,2,7-trimethyl-5-prop-1-en-2-yloct-7-en-4-yl)cyclohexane is sourced from PubChem (CID 123326318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).