2-chloroethyl cyclohexylmethyl carbonate

C10H17ClO3 — CID 91697688

IUPAC2-chloroethyl cyclohexylmethyl carbonate
SMILESO=C(OCCCl)OCC1CCCCC1
InChIInChI=1S/C10H17ClO3/c11-6-7-13-10(12)14-8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyZVBGRKZOGKOZEI-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.96
Rot. Bonds4

About 2-chloroethyl cyclohexylmethyl carbonate

2-chloroethyl cyclohexylmethyl carbonate (PubChem CID 91697688) has the molecular formula C10H17ClO3 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloroethyl cyclohexylmethyl carbonate.

Molecular Properties

Compound Name2-chloroethyl cyclohexylmethyl carbonate
PubChem CID91697688
Molecular FormulaC10H17ClO3
Molecular Weight220.70 g/mol
Exact Mass220.09
IUPAC Name2-chloroethyl cyclohexylmethyl carbonate
SMILESO=C(OCCCl)OCC1CCCCC1
InChIInChI=1S/C10H17ClO3/c11-6-7-13-10(12)14-8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyZVBGRKZOGKOZEI-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloroethyl cyclohexylmethyl carbonate 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

bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
bis(2-chloroethyl) cyclohexane-1,2-dicarboxylate
CID 91697761
cyclohexylmethyl 2-oxoacetate
CID 174782114
cyclopentylmethyl 2,2,2-trichloroacetate
CID 66868515
[4-(6-hydroxyhexoxycarbonyloxymethyl)cyclohexyl]methyl 6-hydroxyhexyl carbonate
CID 21031357
cyclohexylmethyl 2-chloro-2,2-difluoroacetate
CID 91692578
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 87384668
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
cycloheptylmethyl N-methylcarbamate
CID 57322822
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
4-O-(cyclohexylmethyl) 1-O-(2-fluoroethyl) butanedioate
CID 91700798

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl cyclohexylmethyl carbonate?
The IUPAC name of 2-chloroethyl cyclohexylmethyl carbonate (CID 91697688) is 2-chloroethyl cyclohexylmethyl carbonate.
What is the SMILES notation for 2-chloroethyl cyclohexylmethyl carbonate?
The canonical SMILES for 2-chloroethyl cyclohexylmethyl carbonate is O=C(OCCCl)OCC1CCCCC1.
What is the InChIKey of 2-chloroethyl cyclohexylmethyl carbonate?
The InChIKey is ZVBGRKZOGKOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO3/c11-6-7-13-10(12)14-8-9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of 2-chloroethyl cyclohexylmethyl carbonate?
2-chloroethyl cyclohexylmethyl carbonate has a molecular weight of 220.70 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl cyclohexylmethyl carbonate is sourced from PubChem (CID 91697688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).