1-(dichloromethyl)-3-methylcyclobutane

C6H10Cl2 — CID 89061461

IUPAC1-(dichloromethyl)-3-methylcyclobutane
SMILESCC1CC(C(Cl)Cl)C1
InChIInChI=1S/C6H10Cl2/c1-4-2-5(3-4)6(7)8/h4-6H,2-3H2,1H3
InChIKeyROHWKRXQBFEKJM-UHFFFAOYSA-N
MW153.05 g/mol
LogP2.84
Rot. Bonds1

About 1-(dichloromethyl)-3-methylcyclobutane

1-(dichloromethyl)-3-methylcyclobutane (PubChem CID 89061461) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 1-(dichloromethyl)-3-methylcyclobutane.

Molecular Properties

Compound Name1-(dichloromethyl)-3-methylcyclobutane
PubChem CID89061461
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name1-(dichloromethyl)-3-methylcyclobutane
SMILESCC1CC(C(Cl)Cl)C1
InChIInChI=1S/C6H10Cl2/c1-4-2-5(3-4)6(7)8/h4-6H,2-3H2,1H3
InChIKeyROHWKRXQBFEKJM-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 52.84
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-(dichloromethyl)-3-methylcyclobutane?
The IUPAC name of 1-(dichloromethyl)-3-methylcyclobutane (CID 89061461) is 1-(dichloromethyl)-3-methylcyclobutane.
What is the SMILES notation for 1-(dichloromethyl)-3-methylcyclobutane?
The canonical SMILES for 1-(dichloromethyl)-3-methylcyclobutane is CC1CC(C(Cl)Cl)C1.
What is the InChIKey of 1-(dichloromethyl)-3-methylcyclobutane?
The InChIKey is ROHWKRXQBFEKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-4-2-5(3-4)6(7)8/h4-6H,2-3H2,1H3.
What are the key properties of 1-(dichloromethyl)-3-methylcyclobutane?
1-(dichloromethyl)-3-methylcyclobutane has a molecular weight of 153.05 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-3-methylcyclobutane is sourced from PubChem (CID 89061461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).