[chloro(cyclobutyl)methyl]cyclobutane

C9H15Cl — CID 130528915

IUPAC[chloro(cyclobutyl)methyl]cyclobutane
SMILESClC(C1CCC1)C1CCC1
InChIInChI=1S/C9H15Cl/c10-9(7-3-1-4-7)8-5-2-6-8/h7-9H,1-6H2
InChIKeyAACQJQRBJUVNBX-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.19
Rot. Bonds2

About [chloro(cyclobutyl)methyl]cyclobutane

[chloro(cyclobutyl)methyl]cyclobutane (PubChem CID 130528915) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is [chloro(cyclobutyl)methyl]cyclobutane.

Molecular Properties

Compound Name[chloro(cyclobutyl)methyl]cyclobutane
PubChem CID130528915
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name[chloro(cyclobutyl)methyl]cyclobutane
SMILESClC(C1CCC1)C1CCC1
InChIInChI=1S/C9H15Cl/c10-9(7-3-1-4-7)8-5-2-6-8/h7-9H,1-6H2
InChIKeyAACQJQRBJUVNBX-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(cyclobutyl)methyl]cyclobutane?
The IUPAC name of [chloro(cyclobutyl)methyl]cyclobutane (CID 130528915) is [chloro(cyclobutyl)methyl]cyclobutane.
What is the SMILES notation for [chloro(cyclobutyl)methyl]cyclobutane?
The canonical SMILES for [chloro(cyclobutyl)methyl]cyclobutane is ClC(C1CCC1)C1CCC1.
What is the InChIKey of [chloro(cyclobutyl)methyl]cyclobutane?
The InChIKey is AACQJQRBJUVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c10-9(7-3-1-4-7)8-5-2-6-8/h7-9H,1-6H2.
What are the key properties of [chloro(cyclobutyl)methyl]cyclobutane?
[chloro(cyclobutyl)methyl]cyclobutane has a molecular weight of 158.67 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(cyclobutyl)methyl]cyclobutane is sourced from PubChem (CID 130528915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).