3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol

C14H28O2 — CID 112682700

IUPAC3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)OCC1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H28O2/c1-11(2)16-10-14(15)8-12(3,4)7-13(5,6)9-14/h11,15H,7-10H2,1-6H3
InChIKeyXJCGUFHIEDQPNB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds3

About 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol

3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol (PubChem CID 112682700) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
PubChem CID112682700
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)OCC1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H28O2/c1-11(2)16-10-14(15)8-12(3,4)7-13(5,6)9-14/h11,15H,7-10H2,1-6H3
InChIKeyXJCGUFHIEDQPNB-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-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 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The IUPAC name of 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol (CID 112682700) is 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The canonical SMILES for 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol is CC(C)OCC1(O)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The InChIKey is XJCGUFHIEDQPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)16-10-14(15)8-12(3,4)7-13(5,6)9-14/h11,15H,7-10H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 112682700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).