(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol

C10H20O2 — CID 40512915

IUPAC(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](C(C)(C)O)C[C@@H]1O
InChIInChI=1S/C10H20O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyQTJUHINKPNOAEU-YIZRAAEISA-N
MW172.27 g/mol
LogP1.55
Rot. Bonds1

About (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol

(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol (PubChem CID 40512915) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
PubChem CID40512915
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](C(C)(C)O)C[C@@H]1O
InChIInChI=1S/C10H20O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyQTJUHINKPNOAEU-YIZRAAEISA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol (CID 40512915) is (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol is C[C@H]1CC[C@@H](C(C)(C)O)C[C@@H]1O.
What is the InChIKey of (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
The InChIKey is QTJUHINKPNOAEU-YIZRAAEISA-N. The full InChI is InChI=1S/C10H20O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol?
(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 40512915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).