cyclohexyl carbonochloridate;methane

C8H15ClO2 — CID 157322505

IUPACcyclohexyl carbonochloridate;methane
SMILESC.O=C(Cl)OC1CCCCC1
InChIInChI=1S/C7H11ClO2.CH4/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2;1H4
InChIKeyBEIIHLSJGMPRFV-UHFFFAOYSA-N
MW178.66 g/mol
LogP3.33
Rot. Bonds1

About cyclohexyl carbonochloridate;methane

cyclohexyl carbonochloridate;methane (PubChem CID 157322505) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is cyclohexyl carbonochloridate;methane.

Molecular Properties

Compound Namecyclohexyl carbonochloridate;methane
PubChem CID157322505
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Namecyclohexyl carbonochloridate;methane
SMILESC.O=C(Cl)OC1CCCCC1
InChIInChI=1S/C7H11ClO2.CH4/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2;1H4
InChIKeyBEIIHLSJGMPRFV-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclooctyl carbonochloridate;ethane
CID 144532416
(4-carbonochloridoyloxycyclohexyl) carbonochloridate
CID 19931074
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclooctyl cyclooctanecarboxylate
CID 57160377
cycloheptyl hydrogen carbonate
CID 23179405
cycloheptadecyl acetate
CID 57215828
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211

Frequently Asked Questions

What is the IUPAC name of cyclohexyl carbonochloridate;methane?
The IUPAC name of cyclohexyl carbonochloridate;methane (CID 157322505) is cyclohexyl carbonochloridate;methane.
What is the SMILES notation for cyclohexyl carbonochloridate;methane?
The canonical SMILES for cyclohexyl carbonochloridate;methane is C.O=C(Cl)OC1CCCCC1.
What is the InChIKey of cyclohexyl carbonochloridate;methane?
The InChIKey is BEIIHLSJGMPRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2.CH4/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2;1H4.
What are the key properties of cyclohexyl carbonochloridate;methane?
cyclohexyl carbonochloridate;methane has a molecular weight of 178.66 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl carbonochloridate;methane is sourced from PubChem (CID 157322505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).