1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate

C10H22O2 — CID 141162449

IUPAC1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
SMILESCC(C)C1CCC(C)(O)CC1.O
InChIInChI=1S/C10H20O.H2O/c1-8(2)9-4-6-10(3,11)7-5-9;/h8-9,11H,4-7H2,1-3H3;1H2
InChIKeyPSAJAXFUUFPAML-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.76
Rot. Bonds1

About 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate

1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate (PubChem CID 141162449) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
PubChem CID141162449
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
SMILESCC(C)C1CCC(C)(O)CC1.O
InChIInChI=1S/C10H20O.H2O/c1-8(2)9-4-6-10(3,11)7-5-9;/h8-9,11H,4-7H2,1-3H3;1H2
InChIKeyPSAJAXFUUFPAML-UHFFFAOYSA-N
XLogP1.76
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate?
The IUPAC name of 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate (CID 141162449) is 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate.
What is the SMILES notation for 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate?
The canonical SMILES for 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate is CC(C)C1CCC(C)(O)CC1.O.
What is the InChIKey of 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate?
The InChIKey is PSAJAXFUUFPAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.H2O/c1-8(2)9-4-6-10(3,11)7-5-9;/h8-9,11H,4-7H2,1-3H3;1H2.
What are the key properties of 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate?
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate has a molecular weight of 174.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate is sourced from PubChem (CID 141162449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).