7-hexyl-7,8-dimethylbicyclo[4.2.0]octane

C16H30 — CID 163618137

IUPAC7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
SMILESCCCCCCC1(C)C(C)C2CCCCC21
InChIInChI=1S/C16H30/c1-4-5-6-9-12-16(3)13(2)14-10-7-8-11-15(14)16/h13-15H,4-12H2,1-3H3
InChIKeyHLSZEGVJKZCEQA-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds5

About 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane

7-hexyl-7,8-dimethylbicyclo[4.2.0]octane (PubChem CID 163618137) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
PubChem CID163618137
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
SMILESCCCCCCC1(C)C(C)C2CCCCC21
InChIInChI=1S/C16H30/c1-4-5-6-9-12-16(3)13(2)14-10-7-8-11-15(14)16/h13-15H,4-12H2,1-3H3
InChIKeyHLSZEGVJKZCEQA-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane with MolForge

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

Launch Full Analysis

Related Compounds

7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
8-methyl-8-pentyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 175589462
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine
CID 123742804
ethane;tris(methylcyclohexane);octane
CID 142912940
heptane;methoxycyclopentane
CID 131735357
2-hexyl-2,4-dimethyloxane
CID 164909454
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
phosphane;1,1,2-trihexyl-6-octylcyclohexane
CID 118159998
1-ethyl-1-hexyl-2,3-dimethylcyclopropane
CID 123758014
azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
CID 175468906

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane?
The IUPAC name of 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane (CID 163618137) is 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane.
What is the SMILES notation for 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane?
The canonical SMILES for 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane is CCCCCCC1(C)C(C)C2CCCCC21.
What is the InChIKey of 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane?
The InChIKey is HLSZEGVJKZCEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-5-6-9-12-16(3)13(2)14-10-7-8-11-15(14)16/h13-15H,4-12H2,1-3H3.
What are the key properties of 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane?
7-hexyl-7,8-dimethylbicyclo[4.2.0]octane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-7,8-dimethylbicyclo[4.2.0]octane is sourced from PubChem (CID 163618137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).