5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one

C16H28O2 — CID 177002568

IUPAC5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one
SMILESCC1CCCC(C)(C)C1CCC1(C)CCC(=O)O1
InChIInChI=1S/C16H28O2/c1-12-6-5-9-15(2,3)13(12)7-10-16(4)11-8-14(17)18-16/h12-13H,5-11H2,1-4H3
InChIKeyKOECNLLANZSWOJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.32
Rot. Bonds3

About 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one

5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one (PubChem CID 177002568) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one
PubChem CID177002568
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one
SMILESCC1CCCC(C)(C)C1CCC1(C)CCC(=O)O1
InChIInChI=1S/C16H28O2/c1-12-6-5-9-15(2,3)13(12)7-10-16(4)11-8-14(17)18-16/h12-13H,5-11H2,1-4H3
InChIKeyKOECNLLANZSWOJ-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one 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 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one?
The IUPAC name of 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one (CID 177002568) is 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one.
What is the SMILES notation for 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one?
The canonical SMILES for 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one is CC1CCCC(C)(C)C1CCC1(C)CCC(=O)O1.
What is the InChIKey of 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one?
The InChIKey is KOECNLLANZSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12-6-5-9-15(2,3)13(12)7-10-16(4)11-8-14(17)18-16/h12-13H,5-11H2,1-4H3.
What are the key properties of 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one?
5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one has a molecular weight of 252.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one is sourced from PubChem (CID 177002568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).