1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol

C10H20O2 — CID 11252276

IUPAC1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(CO)CC1
InChIInChI=1S/C10H20O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h8-9,11-12H,3-7H2,1-2H3
InChIKeyJRXGXNRANYXDTK-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.56
Rot. Bonds2

About 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol

1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 11252276) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID11252276
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(CO)CC1
InChIInChI=1S/C10H20O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h8-9,11-12H,3-7H2,1-2H3
InChIKeyJRXGXNRANYXDTK-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol (CID 11252276) is 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is JRXGXNRANYXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol?
1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 11252276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).