5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol

C10H20O2 — CID 574846

IUPAC5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)CO)CC1O
InChIInChI=1S/C10H20O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3
InChIKeyRKCNERCHRYXYPR-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds2

About 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol

5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol (PubChem CID 574846) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
PubChem CID574846
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)CO)CC1O
InChIInChI=1S/C10H20O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3
InChIKeyRKCNERCHRYXYPR-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
The IUPAC name of 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol (CID 574846) is 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
The canonical SMILES for 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol is CC1CCC(C(C)CO)CC1O.
What is the InChIKey of 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
The InChIKey is RKCNERCHRYXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3.
What are the key properties of 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 574846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).