1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane

C10H19ClO — CID 165442854

IUPAC1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane
SMILESCOCCC(C)C1(CCl)CC1C
InChIInChI=1S/C10H19ClO/c1-8(4-5-12-3)10(7-11)6-9(10)2/h8-9H,4-7H2,1-3H3
InChIKeyQVIRBEQMISUAJE-UHFFFAOYSA-N
MW190.71 g/mol
LogP2.92
Rot. Bonds5

About 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane

1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane (PubChem CID 165442854) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane
PubChem CID165442854
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane
SMILESCOCCC(C)C1(CCl)CC1C
InChIInChI=1S/C10H19ClO/c1-8(4-5-12-3)10(7-11)6-9(10)2/h8-9H,4-7H2,1-3H3
InChIKeyQVIRBEQMISUAJE-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol
CID 106823648
1-(chloromethyl)-1-(4-methoxybutan-2-yl)cyclopentane
CID 116500273
3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 116500620
1-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 116500171
3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane
CID 107893311
4-(1-ethyl-2-methylcyclopropyl)pentane-1-thiol
CID 139541243
[1-(4-methoxybutan-2-yl)cyclobutyl]methanol
CID 116500225
1-(4-methoxybutan-2-yl)-2-methylcyclobutane
CID 123971585
3-(1-chloroethyl)-1-methoxy-4-methylpentane
CID 62914980
1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol
CID 103564186
1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429641
ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine
CID 145168656

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane?
The IUPAC name of 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane (CID 165442854) is 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane.
What is the SMILES notation for 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane?
The canonical SMILES for 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane is COCCC(C)C1(CCl)CC1C.
What is the InChIKey of 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane?
The InChIKey is QVIRBEQMISUAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-8(4-5-12-3)10(7-11)6-9(10)2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane?
1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane has a molecular weight of 190.71 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(4-methoxybutan-2-yl)-2-methylcyclopropane is sourced from PubChem (CID 165442854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).