[1-(chloromethyl)cyclobutyl]cycloheptane

C12H21Cl — CID 82946357

IUPAC[1-(chloromethyl)cyclobutyl]cycloheptane
SMILESClCC1(C2CCCCCC2)CCC1
InChIInChI=1S/C12H21Cl/c13-10-12(8-5-9-12)11-6-3-1-2-4-7-11/h11H,1-10H2
InChIKeyBTCINGXFQQVSLQ-UHFFFAOYSA-N
MW200.75 g/mol
LogP4.37
Rot. Bonds2

About [1-(chloromethyl)cyclobutyl]cycloheptane

[1-(chloromethyl)cyclobutyl]cycloheptane (PubChem CID 82946357) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is [1-(chloromethyl)cyclobutyl]cycloheptane.

Molecular Properties

Compound Name[1-(chloromethyl)cyclobutyl]cycloheptane
PubChem CID82946357
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name[1-(chloromethyl)cyclobutyl]cycloheptane
SMILESClCC1(C2CCCCCC2)CCC1
InChIInChI=1S/C12H21Cl/c13-10-12(8-5-9-12)11-6-3-1-2-4-7-11/h11H,1-10H2
InChIKeyBTCINGXFQQVSLQ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 54.37
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 [1-(chloromethyl)cyclobutyl]cycloheptane?
The IUPAC name of [1-(chloromethyl)cyclobutyl]cycloheptane (CID 82946357) is [1-(chloromethyl)cyclobutyl]cycloheptane.
What is the SMILES notation for [1-(chloromethyl)cyclobutyl]cycloheptane?
The canonical SMILES for [1-(chloromethyl)cyclobutyl]cycloheptane is ClCC1(C2CCCCCC2)CCC1.
What is the InChIKey of [1-(chloromethyl)cyclobutyl]cycloheptane?
The InChIKey is BTCINGXFQQVSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Cl/c13-10-12(8-5-9-12)11-6-3-1-2-4-7-11/h11H,1-10H2.
What are the key properties of [1-(chloromethyl)cyclobutyl]cycloheptane?
[1-(chloromethyl)cyclobutyl]cycloheptane has a molecular weight of 200.75 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(chloromethyl)cyclobutyl]cycloheptane is sourced from PubChem (CID 82946357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).