6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene

C20H35Cl — CID 163470973

IUPAC6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene
SMILESCC(C)(C)C1CCCC=C1Cl.CC1=CCCC1C(C)(C)C
InChIInChI=1S/C10H17Cl.C10H18/c1-10(2,3)8-6-4-5-7-9(8)11;1-8-6-5-7-9(8)10(2,3)4/h7-8H,4-6H2,1-3H3;6,9H,5,7H2,1-4H3
InChIKeyBWMXVFNYOBPEIY-UHFFFAOYSA-N
MW310.95 g/mol
LogP7.34
Rot. Bonds

About 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene

6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene (PubChem CID 163470973) has the molecular formula C20H35Cl and a molecular weight of 310.95 g/mol. Its IUPAC name is 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene.

Molecular Properties

Compound Name6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene
PubChem CID163470973
Molecular FormulaC20H35Cl
Molecular Weight310.95 g/mol
Exact Mass310.24
IUPAC Name6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene
SMILESCC(C)(C)C1CCCC=C1Cl.CC1=CCCC1C(C)(C)C
InChIInChI=1S/C10H17Cl.C10H18/c1-10(2,3)8-6-4-5-7-9(8)11;1-8-6-5-7-9(8)10(2,3)4/h7-8H,4-6H2,1-3H3;6,9H,5,7H2,1-4H3
InChIKeyBWMXVFNYOBPEIY-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.95
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene 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

1-chloro-6-methylcyclohexene
CID 565192
2,3-dimethylcyclohept-3-en-1-amine
CID 146285592
1,6,7-trimethylcycloheptene
CID 91039124
6-(5-chloro-2-methylpentan-2-yl)cyclohexene-1-carbonitrile
CID 11206890
6-(2-chloroethynyl)-1-methylcyclohexene
CID 21482545
2-chloro-6-methylcyclohex-2-en-1-amine
CID 143703375
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
2-methylcyclohex-2-ene-1-carbaldehyde
CID 15178761
1,7-dimethylcycloheptene
CID 13493194
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
methyl (5R)-5-tert-butylcyclopentene-1-carboxylate
CID 101263082
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene?
The IUPAC name of 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene (CID 163470973) is 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene.
What is the SMILES notation for 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene?
The canonical SMILES for 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene is CC(C)(C)C1CCCC=C1Cl.CC1=CCCC1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene?
The InChIKey is BWMXVFNYOBPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl.C10H18/c1-10(2,3)8-6-4-5-7-9(8)11;1-8-6-5-7-9(8)10(2,3)4/h7-8H,4-6H2,1-3H3;6,9H,5,7H2,1-4H3.
What are the key properties of 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene?
6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene has a molecular weight of 310.95 g/mol, XLogP of 7.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-chlorocyclohexene;5-tert-butyl-1-methylcyclopentene is sourced from PubChem (CID 163470973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).