1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane

C11H21Cl — CID 165443278

IUPAC1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane
SMILESCC(CC1(CCl)CC1)C(C)(C)C
InChIInChI=1S/C11H21Cl/c1-9(10(2,3)4)7-11(8-12)5-6-11/h9H,5-8H2,1-4H3
InChIKeyTXNSUWBNQMDLDO-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.08
Rot. Bonds3

About 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane

1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane (PubChem CID 165443278) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane
PubChem CID165443278
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane
SMILESCC(CC1(CCl)CC1)C(C)(C)C
InChIInChI=1S/C11H21Cl/c1-9(10(2,3)4)7-11(8-12)5-6-11/h9H,5-8H2,1-4H3
InChIKeyTXNSUWBNQMDLDO-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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)-1-(2,3,3-trimethylbutyl)cyclopropane?
The IUPAC name of 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane (CID 165443278) is 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane.
What is the SMILES notation for 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane?
The canonical SMILES for 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane is CC(CC1(CCl)CC1)C(C)(C)C.
What is the InChIKey of 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane?
The InChIKey is TXNSUWBNQMDLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-9(10(2,3)4)7-11(8-12)5-6-11/h9H,5-8H2,1-4H3.
What are the key properties of 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane?
1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane has a molecular weight of 188.74 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane is sourced from PubChem (CID 165443278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).