(1-chlorocyclohexyl) formate

C7H11ClO2 — CID 57238873

IUPAC(1-chlorocyclohexyl) formate
SMILESO=COC1(Cl)CCCCC1
InChIInChI=1S/C7H11ClO2/c8-7(10-6-9)4-2-1-3-5-7/h6H,1-5H2
InChIKeyKZYCIOSAJVAPSE-UHFFFAOYSA-N
MW162.62 g/mol
LogP2.06
Rot. Bonds2

About (1-chlorocyclohexyl) formate

(1-chlorocyclohexyl) formate (PubChem CID 57238873) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is (1-chlorocyclohexyl) formate.

Molecular Properties

Compound Name(1-chlorocyclohexyl) formate
PubChem CID57238873
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name(1-chlorocyclohexyl) formate
SMILESO=COC1(Cl)CCCCC1
InChIInChI=1S/C7H11ClO2/c8-7(10-6-9)4-2-1-3-5-7/h6H,1-5H2
InChIKeyKZYCIOSAJVAPSE-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-chlorocyclohexyl) formate?
The IUPAC name of (1-chlorocyclohexyl) formate (CID 57238873) is (1-chlorocyclohexyl) formate.
What is the SMILES notation for (1-chlorocyclohexyl) formate?
The canonical SMILES for (1-chlorocyclohexyl) formate is O=COC1(Cl)CCCCC1.
What is the InChIKey of (1-chlorocyclohexyl) formate?
The InChIKey is KZYCIOSAJVAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c8-7(10-6-9)4-2-1-3-5-7/h6H,1-5H2.
What are the key properties of (1-chlorocyclohexyl) formate?
(1-chlorocyclohexyl) formate has a molecular weight of 162.62 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chlorocyclohexyl) formate is sourced from PubChem (CID 57238873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).