(3-chlorocyclohexyl) carbonochloridate

C7H10Cl2O2 — CID 21217372

IUPAC(3-chlorocyclohexyl) carbonochloridate
SMILESO=C(Cl)OC1CCCC(Cl)C1
InChIInChI=1S/C7H10Cl2O2/c8-5-2-1-3-6(4-5)11-7(9)10/h5-6H,1-4H2
InChIKeySDWKNMBRVMQPKO-UHFFFAOYSA-N
MW197.06 g/mol
LogP2.91
Rot. Bonds1

About (3-chlorocyclohexyl) carbonochloridate

(3-chlorocyclohexyl) carbonochloridate (PubChem CID 21217372) has the molecular formula C7H10Cl2O2 and a molecular weight of 197.06 g/mol. Its IUPAC name is (3-chlorocyclohexyl) carbonochloridate.

Molecular Properties

Compound Name(3-chlorocyclohexyl) carbonochloridate
PubChem CID21217372
Molecular FormulaC7H10Cl2O2
Molecular Weight197.06 g/mol
Exact Mass196.01
IUPAC Name(3-chlorocyclohexyl) carbonochloridate
SMILESO=C(Cl)OC1CCCC(Cl)C1
InChIInChI=1S/C7H10Cl2O2/c8-5-2-1-3-6(4-5)11-7(9)10/h5-6H,1-4H2
InChIKeySDWKNMBRVMQPKO-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chlorocyclohexyl) carbonochloridate?
The IUPAC name of (3-chlorocyclohexyl) carbonochloridate (CID 21217372) is (3-chlorocyclohexyl) carbonochloridate.
What is the SMILES notation for (3-chlorocyclohexyl) carbonochloridate?
The canonical SMILES for (3-chlorocyclohexyl) carbonochloridate is O=C(Cl)OC1CCCC(Cl)C1.
What is the InChIKey of (3-chlorocyclohexyl) carbonochloridate?
The InChIKey is SDWKNMBRVMQPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2O2/c8-5-2-1-3-6(4-5)11-7(9)10/h5-6H,1-4H2.
What are the key properties of (3-chlorocyclohexyl) carbonochloridate?
(3-chlorocyclohexyl) carbonochloridate has a molecular weight of 197.06 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorocyclohexyl) carbonochloridate is sourced from PubChem (CID 21217372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).