4-propan-2-ylcyclohexan-1-ol

C9H18O — CID 20739

IUPAC4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1
InChIInChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3
InChIKeyDKKRDMLKVSKFMJ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds1

About 4-propan-2-ylcyclohexan-1-ol

4-propan-2-ylcyclohexan-1-ol (PubChem CID 20739) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-ylcyclohexan-1-ol
PubChem CID20739
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1
InChIInChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3
InChIKeyDKKRDMLKVSKFMJ-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 4-propan-2-ylcyclohexan-1-ol (CID 20739) is 4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1.
What is the InChIKey of 4-propan-2-ylcyclohexan-1-ol?
The InChIKey is DKKRDMLKVSKFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexan-1-ol?
4-propan-2-ylcyclohexan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 20739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).