1-tert-butyl-2-(chloromethyl)cyclopropane

C8H15Cl — CID 176792808

IUPAC1-tert-butyl-2-(chloromethyl)cyclopropane
SMILESCC(C)(C)C1CC1CCl
InChIInChI=1S/C8H15Cl/c1-8(2,3)7-4-6(7)5-9/h6-7H,4-5H2,1-3H3
InChIKeySFQOWRKADXDIRX-UHFFFAOYSA-N
MW146.66 g/mol
LogP2.91
Rot. Bonds1

About 1-tert-butyl-2-(chloromethyl)cyclopropane

1-tert-butyl-2-(chloromethyl)cyclopropane (PubChem CID 176792808) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-tert-butyl-2-(chloromethyl)cyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2-(chloromethyl)cyclopropane
PubChem CID176792808
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-tert-butyl-2-(chloromethyl)cyclopropane
SMILESCC(C)(C)C1CC1CCl
InChIInChI=1S/C8H15Cl/c1-8(2,3)7-4-6(7)5-9/h6-7H,4-5H2,1-3H3
InChIKeySFQOWRKADXDIRX-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 52.91
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-tert-butyl-2-(chloromethyl)cyclopropane?
The IUPAC name of 1-tert-butyl-2-(chloromethyl)cyclopropane (CID 176792808) is 1-tert-butyl-2-(chloromethyl)cyclopropane.
What is the SMILES notation for 1-tert-butyl-2-(chloromethyl)cyclopropane?
The canonical SMILES for 1-tert-butyl-2-(chloromethyl)cyclopropane is CC(C)(C)C1CC1CCl.
What is the InChIKey of 1-tert-butyl-2-(chloromethyl)cyclopropane?
The InChIKey is SFQOWRKADXDIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-8(2,3)7-4-6(7)5-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(chloromethyl)cyclopropane?
1-tert-butyl-2-(chloromethyl)cyclopropane has a molecular weight of 146.66 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(chloromethyl)cyclopropane is sourced from PubChem (CID 176792808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).