cyclooctyl carbonochloridate;ethane

C11H21ClO2 — CID 144532416

IUPACcyclooctyl carbonochloridate;ethane
SMILESCC.O=C(Cl)OC1CCCCCCC1
InChIInChI=1S/C9H15ClO2.C2H6/c10-9(11)12-8-6-4-2-1-3-5-7-8;1-2/h8H,1-7H2;1-2H3
InChIKeyFLCRUTVMCJCXES-UHFFFAOYSA-N
MW220.74 g/mol
LogP4.50
Rot. Bonds1

About cyclooctyl carbonochloridate;ethane

cyclooctyl carbonochloridate;ethane (PubChem CID 144532416) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is cyclooctyl carbonochloridate;ethane.

Molecular Properties

Compound Namecyclooctyl carbonochloridate;ethane
PubChem CID144532416
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Namecyclooctyl carbonochloridate;ethane
SMILESCC.O=C(Cl)OC1CCCCCCC1
InChIInChI=1S/C9H15ClO2.C2H6/c10-9(11)12-8-6-4-2-1-3-5-7-8;1-2/h8H,1-7H2;1-2H3
InChIKeyFLCRUTVMCJCXES-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 54.50
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

cyclohexyl carbonochloridate;methane
CID 157322505
(4-carbonochloridoyloxycyclohexyl) carbonochloridate
CID 19931074
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cycloheptadecyl acetate
CID 57215828
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
azane;cyclohexyl acetate
CID 174554221
cyclooctyl cyclooctanecarboxylate
CID 57160377
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclohexyl acetate;dihydrochloride
CID 140971070
cycloheptyl hydrogen carbonate
CID 23179405
(6-acetyloxycyclodecyl) acetate
CID 539578

Frequently Asked Questions

What is the IUPAC name of cyclooctyl carbonochloridate;ethane?
The IUPAC name of cyclooctyl carbonochloridate;ethane (CID 144532416) is cyclooctyl carbonochloridate;ethane.
What is the SMILES notation for cyclooctyl carbonochloridate;ethane?
The canonical SMILES for cyclooctyl carbonochloridate;ethane is CC.O=C(Cl)OC1CCCCCCC1.
What is the InChIKey of cyclooctyl carbonochloridate;ethane?
The InChIKey is FLCRUTVMCJCXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2.C2H6/c10-9(11)12-8-6-4-2-1-3-5-7-8;1-2/h8H,1-7H2;1-2H3.
What are the key properties of cyclooctyl carbonochloridate;ethane?
cyclooctyl carbonochloridate;ethane has a molecular weight of 220.74 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl carbonochloridate;ethane is sourced from PubChem (CID 144532416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).