1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane

C11H21Cl — CID 66035776

IUPAC1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane
SMILESCC(C)(C)CCC1(CCl)CCC1
InChIInChI=1S/C11H21Cl/c1-10(2,3)7-8-11(9-12)5-4-6-11/h4-9H2,1-3H3
InChIKeyACCJQAHCWCCWJG-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.22
Rot. Bonds3

About 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane

1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane (PubChem CID 66035776) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane
PubChem CID66035776
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane
SMILESCC(C)(C)CCC1(CCl)CCC1
InChIInChI=1S/C11H21Cl/c1-10(2,3)7-8-11(9-12)5-4-6-11/h4-9H2,1-3H3
InChIKeyACCJQAHCWCCWJG-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,3-dimethylbutyl)cyclobutyl]methanol
CID 66023658
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
1-(3,3-dimethylbutyl)cycloheptan-1-ol
CID 65147849
1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
CID 66034231
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde
CID 131231052
1-[1-(chloromethyl)cyclobutyl]-N-methylmethanamine
CID 130744589
1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
CID 65154010
1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane
CID 66036028
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
[1-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine
CID 65392807

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane?
The IUPAC name of 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane (CID 66035776) is 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane.
What is the SMILES notation for 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane?
The canonical SMILES for 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane is CC(C)(C)CCC1(CCl)CCC1.
What is the InChIKey of 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane?
The InChIKey is ACCJQAHCWCCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-10(2,3)7-8-11(9-12)5-4-6-11/h4-9H2,1-3H3.
What are the key properties of 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane?
1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane has a molecular weight of 188.74 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane is sourced from PubChem (CID 66035776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).