2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol

C14H28O2 — CID 18714529

IUPAC2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
SMILESCC(CO)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H28O2/c1-10(2)13-6-5-11(3)7-14(13)16-9-12(4)8-15/h10-15H,5-9H2,1-4H3
InChIKeyFPMINWPJGDYEAK-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol

2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol (PubChem CID 18714529) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
PubChem CID18714529
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
SMILESCC(CO)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H28O2/c1-10(2)13-6-5-11(3)7-14(13)16-9-12(4)8-15/h10-15H,5-9H2,1-4H3
InChIKeyFPMINWPJGDYEAK-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol 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-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The IUPAC name of 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol (CID 18714529) is 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol.
What is the SMILES notation for 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The canonical SMILES for 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol is CC(CO)COC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The InChIKey is FPMINWPJGDYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-10(2)13-6-5-11(3)7-14(13)16-9-12(4)8-15/h10-15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol is sourced from PubChem (CID 18714529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).