[4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate

C17H24O2 — CID 57051411

IUPAC[4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate
SMILESCC1(C)CC(c2ccc(OC=O)cc2)CC(C)(C)C1
InChIInChI=1S/C17H24O2/c1-16(2)9-14(10-17(3,4)11-16)13-5-7-15(8-6-13)19-12-18/h5-8,12,14H,9-11H2,1-4H3
InChIKeyAJICMRHBPNEJKP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.54
Rot. Bonds3

About [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate

[4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate (PubChem CID 57051411) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate.

Molecular Properties

Compound Name[4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate
PubChem CID57051411
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate
SMILESCC1(C)CC(c2ccc(OC=O)cc2)CC(C)(C)C1
InChIInChI=1S/C17H24O2/c1-16(2)9-14(10-17(3,4)11-16)13-5-7-15(8-6-13)19-12-18/h5-8,12,14H,9-11H2,1-4H3
InChIKeyAJICMRHBPNEJKP-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] 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-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate?
The IUPAC name of [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate (CID 57051411) is [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate.
What is the SMILES notation for [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate?
The canonical SMILES for [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate is CC1(C)CC(c2ccc(OC=O)cc2)CC(C)(C)C1.
What is the InChIKey of [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate?
The InChIKey is AJICMRHBPNEJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-16(2)9-14(10-17(3,4)11-16)13-5-7-15(8-6-13)19-12-18/h5-8,12,14H,9-11H2,1-4H3.
What are the key properties of [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate?
[4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate has a molecular weight of 260.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,5,5-tetramethylcyclohexyl)phenyl] formate is sourced from PubChem (CID 57051411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).