2-chloropropan-2-yl cyclohexyl carbonate

C10H17ClO3 — CID 163283556

IUPAC2-chloropropan-2-yl cyclohexyl carbonate
SMILESCC(C)(Cl)OC(=O)OC1CCCCC1
InChIInChI=1S/C10H17ClO3/c1-10(2,11)14-9(12)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyJUGUXTMVPUVANV-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.45
Rot. Bonds2

About 2-chloropropan-2-yl cyclohexyl carbonate

2-chloropropan-2-yl cyclohexyl carbonate (PubChem CID 163283556) has the molecular formula C10H17ClO3 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloropropan-2-yl cyclohexyl carbonate.

Molecular Properties

Compound Name2-chloropropan-2-yl cyclohexyl carbonate
PubChem CID163283556
Molecular FormulaC10H17ClO3
Molecular Weight220.70 g/mol
Exact Mass220.09
IUPAC Name2-chloropropan-2-yl cyclohexyl carbonate
SMILESCC(C)(Cl)OC(=O)OC1CCCCC1
InChIInChI=1S/C10H17ClO3/c1-10(2,11)14-9(12)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyJUGUXTMVPUVANV-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-1-iodoethyl) cyclohexyl carbonate
CID 69058507
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
dicyclononyl carbonate
CID 139618210
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
tert-butyl piperidin-4-yl carbonate
CID 22078382
cyclooctyl carbonochloridate;ethane
CID 144532416
cyclohexyl iodo carbonate
CID 139427010
bis[4-(2-chloropropan-2-yl)cyclohexyl] carbonate
CID 162752471
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265

Frequently Asked Questions

What is the IUPAC name of 2-chloropropan-2-yl cyclohexyl carbonate?
The IUPAC name of 2-chloropropan-2-yl cyclohexyl carbonate (CID 163283556) is 2-chloropropan-2-yl cyclohexyl carbonate.
What is the SMILES notation for 2-chloropropan-2-yl cyclohexyl carbonate?
The canonical SMILES for 2-chloropropan-2-yl cyclohexyl carbonate is CC(C)(Cl)OC(=O)OC1CCCCC1.
What is the InChIKey of 2-chloropropan-2-yl cyclohexyl carbonate?
The InChIKey is JUGUXTMVPUVANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO3/c1-10(2,11)14-9(12)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-chloropropan-2-yl cyclohexyl carbonate?
2-chloropropan-2-yl cyclohexyl carbonate has a molecular weight of 220.70 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropan-2-yl cyclohexyl carbonate is sourced from PubChem (CID 163283556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).