chloromethyl 1-butylcyclopropane-1-carboxylate

C9H15ClO2 — CID 170994600

IUPACchloromethyl 1-butylcyclopropane-1-carboxylate
SMILESCCCCC1(C(=O)OCCl)CC1
InChIInChI=1S/C9H15ClO2/c1-2-3-4-9(5-6-9)8(11)12-7-10/h2-7H2,1H3
InChIKeyWSQCJOSEYMNQEX-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.70
Rot. Bonds5

About chloromethyl 1-butylcyclopropane-1-carboxylate

chloromethyl 1-butylcyclopropane-1-carboxylate (PubChem CID 170994600) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is chloromethyl 1-butylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namechloromethyl 1-butylcyclopropane-1-carboxylate
PubChem CID170994600
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Namechloromethyl 1-butylcyclopropane-1-carboxylate
SMILESCCCCC1(C(=O)OCCl)CC1
InChIInChI=1S/C9H15ClO2/c1-2-3-4-9(5-6-9)8(11)12-7-10/h2-7H2,1H3
InChIKeyWSQCJOSEYMNQEX-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
1-butylcyclopropane-1-carbonyl chloride
CID 54546667
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065
ethyl 4-butylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 18318111
octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044
1-butylcyclohexane-1-carboxamide
CID 57018178
ethyl 1-(3-bromopropyl)cyclobutane-1-carboxylate
CID 22954338
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
CID 158776488
1-(1-octylcyclopropyl)ethanone
CID 22042371
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562

Frequently Asked Questions

What is the IUPAC name of chloromethyl 1-butylcyclopropane-1-carboxylate?
The IUPAC name of chloromethyl 1-butylcyclopropane-1-carboxylate (CID 170994600) is chloromethyl 1-butylcyclopropane-1-carboxylate.
What is the SMILES notation for chloromethyl 1-butylcyclopropane-1-carboxylate?
The canonical SMILES for chloromethyl 1-butylcyclopropane-1-carboxylate is CCCCC1(C(=O)OCCl)CC1.
What is the InChIKey of chloromethyl 1-butylcyclopropane-1-carboxylate?
The InChIKey is WSQCJOSEYMNQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-2-3-4-9(5-6-9)8(11)12-7-10/h2-7H2,1H3.
What are the key properties of chloromethyl 1-butylcyclopropane-1-carboxylate?
chloromethyl 1-butylcyclopropane-1-carboxylate has a molecular weight of 190.67 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 1-butylcyclopropane-1-carboxylate is sourced from PubChem (CID 170994600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).