(4-tert-butylcyclohexyl)oxy formate

C11H20O3 — CID 18381008

IUPAC(4-tert-butylcyclohexyl)oxy formate
SMILESCC(C)(C)C1CCC(OOC=O)CC1
InChIInChI=1S/C11H20O3/c1-11(2,3)9-4-6-10(7-5-9)14-13-8-12/h8-10H,4-7H2,1-3H3
InChIKeyXDTVDBZEXSCTDK-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.70
Rot. Bonds3

About (4-tert-butylcyclohexyl)oxy formate

(4-tert-butylcyclohexyl)oxy formate (PubChem CID 18381008) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)oxy formate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)oxy formate
PubChem CID18381008
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4-tert-butylcyclohexyl)oxy formate
SMILESCC(C)(C)C1CCC(OOC=O)CC1
InChIInChI=1S/C11H20O3/c1-11(2,3)9-4-6-10(7-5-9)14-13-8-12/h8-10H,4-7H2,1-3H3
InChIKeyXDTVDBZEXSCTDK-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (4-tert-butylcyclohexyl)oxy formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)oxy formate?
The IUPAC name of (4-tert-butylcyclohexyl)oxy formate (CID 18381008) is (4-tert-butylcyclohexyl)oxy formate.
What is the SMILES notation for (4-tert-butylcyclohexyl)oxy formate?
The canonical SMILES for (4-tert-butylcyclohexyl)oxy formate is CC(C)(C)C1CCC(OOC=O)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)oxy formate?
The InChIKey is XDTVDBZEXSCTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,3)9-4-6-10(7-5-9)14-13-8-12/h8-10H,4-7H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)oxy formate?
(4-tert-butylcyclohexyl)oxy formate has a molecular weight of 200.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)oxy formate is sourced from PubChem (CID 18381008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).