2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate

C18H34O2 — CID 143746498

IUPAC2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate
SMILESCC1CCC(C(C)(C)OC(=O)C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O2/c1-13-9-11-14(12-10-13)18(7,8)20-15(19)17(5,6)16(2,3)4/h13-14H,9-12H2,1-8H3
InChIKeyKHPHMWUQFVIQDZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.21
Rot. Bonds3

About 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate

2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate (PubChem CID 143746498) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate
PubChem CID143746498
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate
SMILESCC1CCC(C(C)(C)OC(=O)C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O2/c1-13-9-11-14(12-10-13)18(7,8)20-15(19)17(5,6)16(2,3)4/h13-14H,9-12H2,1-8H3
InChIKeyKHPHMWUQFVIQDZ-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate 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 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate?
The IUPAC name of 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate (CID 143746498) is 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate is CC1CCC(C(C)(C)OC(=O)C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate?
The InChIKey is KHPHMWUQFVIQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-13-9-11-14(12-10-13)18(7,8)20-15(19)17(5,6)16(2,3)4/h13-14H,9-12H2,1-8H3.
What are the key properties of 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate?
2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate has a molecular weight of 282.47 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 143746498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).