(2-chlorocyclohexyl) formate

C7H11ClO2 — CID 10012216

IUPAC(2-chlorocyclohexyl) formate
SMILESO=COC1CCCCC1Cl
InChIInChI=1S/C7H11ClO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4H2
InChIKeyRTDMSFLMWWWXEY-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.71
Rot. Bonds2

About (2-chlorocyclohexyl) formate

(2-chlorocyclohexyl) formate (PubChem CID 10012216) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is (2-chlorocyclohexyl) formate.

Molecular Properties

Compound Name(2-chlorocyclohexyl) formate
PubChem CID10012216
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name(2-chlorocyclohexyl) formate
SMILESO=COC1CCCCC1Cl
InChIInChI=1S/C7H11ClO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4H2
InChIKeyRTDMSFLMWWWXEY-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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 (2-chlorocyclohexyl) formate?
The IUPAC name of (2-chlorocyclohexyl) formate (CID 10012216) is (2-chlorocyclohexyl) formate.
What is the SMILES notation for (2-chlorocyclohexyl) formate?
The canonical SMILES for (2-chlorocyclohexyl) formate is O=COC1CCCCC1Cl.
What is the InChIKey of (2-chlorocyclohexyl) formate?
The InChIKey is RTDMSFLMWWWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4H2.
What are the key properties of (2-chlorocyclohexyl) formate?
(2-chlorocyclohexyl) formate has a molecular weight of 162.62 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohexyl) formate is sourced from PubChem (CID 10012216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).