(4-butylcyclohexyl) formate

C11H20O2 — CID 54197032

IUPAC(4-butylcyclohexyl) formate
SMILESCCCCC1CCC(OC=O)CC1
InChIInChI=1S/C11H20O2/c1-2-3-4-10-5-7-11(8-6-10)13-9-12/h9-11H,2-8H2,1H3
InChIKeyPMNYOMJAFVSPML-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds5

About (4-butylcyclohexyl) formate

(4-butylcyclohexyl) formate (PubChem CID 54197032) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4-butylcyclohexyl) formate.

Molecular Properties

Compound Name(4-butylcyclohexyl) formate
PubChem CID54197032
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4-butylcyclohexyl) formate
SMILESCCCCC1CCC(OC=O)CC1
InChIInChI=1S/C11H20O2/c1-2-3-4-10-5-7-11(8-6-10)13-9-12/h9-11H,2-8H2,1H3
InChIKeyPMNYOMJAFVSPML-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl) formate?
The IUPAC name of (4-butylcyclohexyl) formate (CID 54197032) is (4-butylcyclohexyl) formate.
What is the SMILES notation for (4-butylcyclohexyl) formate?
The canonical SMILES for (4-butylcyclohexyl) formate is CCCCC1CCC(OC=O)CC1.
What is the InChIKey of (4-butylcyclohexyl) formate?
The InChIKey is PMNYOMJAFVSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-10-5-7-11(8-6-10)13-9-12/h9-11H,2-8H2,1H3.
What are the key properties of (4-butylcyclohexyl) formate?
(4-butylcyclohexyl) formate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl) formate is sourced from PubChem (CID 54197032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).