4-chlorobut-1-enylcyclohexane

C10H17Cl — CID 72770329

IUPAC4-chlorobut-1-enylcyclohexane
SMILESClCCC=CC1CCCCC1
InChIInChI=1S/C10H17Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h4,8,10H,1-3,5-7,9H2
InChIKeyLAXWWBOGBCEJPF-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.75
Rot. Bonds3

About 4-chlorobut-1-enylcyclohexane

4-chlorobut-1-enylcyclohexane (PubChem CID 72770329) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 4-chlorobut-1-enylcyclohexane.

Molecular Properties

Compound Name4-chlorobut-1-enylcyclohexane
PubChem CID72770329
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name4-chlorobut-1-enylcyclohexane
SMILESClCCC=CC1CCCCC1
InChIInChI=1S/C10H17Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h4,8,10H,1-3,5-7,9H2
InChIKeyLAXWWBOGBCEJPF-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 4-chlorobut-1-enylcyclohexane?
The IUPAC name of 4-chlorobut-1-enylcyclohexane (CID 72770329) is 4-chlorobut-1-enylcyclohexane.
What is the SMILES notation for 4-chlorobut-1-enylcyclohexane?
The canonical SMILES for 4-chlorobut-1-enylcyclohexane is ClCCC=CC1CCCCC1.
What is the InChIKey of 4-chlorobut-1-enylcyclohexane?
The InChIKey is LAXWWBOGBCEJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h4,8,10H,1-3,5-7,9H2.
What are the key properties of 4-chlorobut-1-enylcyclohexane?
4-chlorobut-1-enylcyclohexane has a molecular weight of 172.70 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobut-1-enylcyclohexane is sourced from PubChem (CID 72770329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).