3-(3-chloro-2-methylpropyl)cyclohexene

C10H17Cl — CID 14289086

IUPAC3-(3-chloro-2-methylpropyl)cyclohexene
SMILESCC(CCl)CC1C=CCCC1
InChIInChI=1S/C10H17Cl/c1-9(8-11)7-10-5-3-2-4-6-10/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyBUZNAAQQDLVGJA-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.61
Rot. Bonds3

About 3-(3-chloro-2-methylpropyl)cyclohexene

3-(3-chloro-2-methylpropyl)cyclohexene (PubChem CID 14289086) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 3-(3-chloro-2-methylpropyl)cyclohexene.

Molecular Properties

Compound Name3-(3-chloro-2-methylpropyl)cyclohexene
PubChem CID14289086
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name3-(3-chloro-2-methylpropyl)cyclohexene
SMILESCC(CCl)CC1C=CCCC1
InChIInChI=1S/C10H17Cl/c1-9(8-11)7-10-5-3-2-4-6-10/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyBUZNAAQQDLVGJA-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexene, 4-(1-chloro-1-methylethyl)-1-methyl-
CID 162397
Citronellyl chloride
CID 9815366
4-(Chloromethyl)cyclohexene
CID 556956
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
1-Chloro-2-(cyclohex-3-enyl)ethane
CID 12480857
3-(2-Chloroethyl)cyclohexene
CID 13866449
(3R)-3-(6-chlorohexyl)cyclohexene
CID 117821880
9-Chloro-3-methylnon-1-ene
CID 21838954
(3S,6S)-3-chloro-1-fluoro-6-propan-2-ylcyclohexene
CID 59606730
6-Butan-2-yl-1-chloro-3-fluorocyclohexene
CID 142155770
5-Chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene
CID 146207770
6-Chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 12814395

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylpropyl)cyclohexene?
The IUPAC name of 3-(3-chloro-2-methylpropyl)cyclohexene (CID 14289086) is 3-(3-chloro-2-methylpropyl)cyclohexene.
What is the SMILES notation for 3-(3-chloro-2-methylpropyl)cyclohexene?
The canonical SMILES for 3-(3-chloro-2-methylpropyl)cyclohexene is CC(CCl)CC1C=CCCC1.
What is the InChIKey of 3-(3-chloro-2-methylpropyl)cyclohexene?
The InChIKey is BUZNAAQQDLVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-9(8-11)7-10-5-3-2-4-6-10/h3,5,9-10H,2,4,6-8H2,1H3.
What are the key properties of 3-(3-chloro-2-methylpropyl)cyclohexene?
3-(3-chloro-2-methylpropyl)cyclohexene has a molecular weight of 172.70 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylpropyl)cyclohexene is sourced from PubChem (CID 14289086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).