1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol

C19H38O2 — CID 70304454

IUPAC1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)(C)C1(O)CCCCC1.CC(C)C1CCC(O)CC1
InChIInChI=1S/C10H20O.C9H18O/c1-9(2,3)10(11)7-5-4-6-8-10;1-7(2)8-3-5-9(10)6-4-8/h11H,4-8H2,1-3H3;7-10H,3-6H2,1-2H3
InChIKeyQDXNSDFLFQYELI-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.92
Rot. Bonds1

About 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol

1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol (PubChem CID 70304454) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol
PubChem CID70304454
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)(C)C1(O)CCCCC1.CC(C)C1CCC(O)CC1
InChIInChI=1S/C10H20O.C9H18O/c1-9(2,3)10(11)7-5-4-6-8-10;1-7(2)8-3-5-9(10)6-4-8/h11H,4-8H2,1-3H3;7-10H,3-6H2,1-2H3
InChIKeyQDXNSDFLFQYELI-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-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 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol (CID 70304454) is 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol is CC(C)(C)C1(O)CCCCC1.CC(C)C1CCC(O)CC1.
What is the InChIKey of 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol?
The InChIKey is QDXNSDFLFQYELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C9H18O/c1-9(2,3)10(11)7-5-4-6-8-10;1-7(2)8-3-5-9(10)6-4-8/h11H,4-8H2,1-3H3;7-10H,3-6H2,1-2H3.
What are the key properties of 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol?
1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 4.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 70304454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).