(4-chlorocyclohexyl) formate

C7H11ClO2 — CID 21249018

IUPAC(4-chlorocyclohexyl) formate
SMILESO=COC1CCC(Cl)CC1
InChIInChI=1S/C7H11ClO2/c8-6-1-3-7(4-2-6)10-5-9/h5-7H,1-4H2
InChIKeyCIOWVDRMMWVELC-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.71
Rot. Bonds2

About (4-chlorocyclohexyl) formate

(4-chlorocyclohexyl) formate (PubChem CID 21249018) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is (4-chlorocyclohexyl) formate.

Molecular Properties

Compound Name(4-chlorocyclohexyl) formate
PubChem CID21249018
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name(4-chlorocyclohexyl) formate
SMILESO=COC1CCC(Cl)CC1
InChIInChI=1S/C7H11ClO2/c8-6-1-3-7(4-2-6)10-5-9/h5-7H,1-4H2
InChIKeyCIOWVDRMMWVELC-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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Related Compounds

(4-Chlorocyclohexyl) carbonofluoridate
CID 126746192
(2-Chlorocyclohexyl) formate
CID 10012216
(3-Chlorocyclohexyl) carbonochloridate
CID 21217372
6-Chlorohexyl formate
CID 17911653
(3,4-Dichlorocyclohexyl) formate
CID 54413403
(1-Chlorocyclohexyl) formate
CID 57238873
[(1R,2S)-2-chlorocyclohexyl] formate
CID 131115202

Frequently Asked Questions

What is the IUPAC name of (4-chlorocyclohexyl) formate?
The IUPAC name of (4-chlorocyclohexyl) formate (CID 21249018) is (4-chlorocyclohexyl) formate.
What is the SMILES notation for (4-chlorocyclohexyl) formate?
The canonical SMILES for (4-chlorocyclohexyl) formate is O=COC1CCC(Cl)CC1.
What is the InChIKey of (4-chlorocyclohexyl) formate?
The InChIKey is CIOWVDRMMWVELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c8-6-1-3-7(4-2-6)10-5-9/h5-7H,1-4H2.
What are the key properties of (4-chlorocyclohexyl) formate?
(4-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 (4-chlorocyclohexyl) formate is sourced from PubChem (CID 21249018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).