1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol

C10H20O2 — CID 12709673

IUPAC1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)(O)CC1(O)CCCCC1
InChIInChI=1S/C10H20O2/c1-9(2,11)8-10(12)6-4-3-5-7-10/h11-12H,3-8H2,1-2H3
InChIKeyHWVDSKARYOXAFK-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol

1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol (PubChem CID 12709673) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol
PubChem CID12709673
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)(O)CC1(O)CCCCC1
InChIInChI=1S/C10H20O2/c1-9(2,11)8-10(12)6-4-3-5-7-10/h11-12H,3-8H2,1-2H3
InChIKeyHWVDSKARYOXAFK-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

p-MENTHAN-8-OL
CID 10353
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
1-Ethylcyclohexanol
CID 16021
2,7-Dimethyl-2,7-octanediol
CID 140597
2-Nonanol, 2-methyl-
CID 25139
1-Butylcyclohexanol
CID 138505
4-Cyclohexyl-2-methyl-2-butanol
CID 14434313
1-(2-Hydroxyethyl)cyclohexan-1-ol
CID 275048
1-Methyl-3-(2-methylpropyl)cyclohexanol
CID 22476645
4-Methylnonan-4-ol
CID 90924
3-Nonanol, 3-methyl-
CID 89428

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol (CID 12709673) is 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol is CC(C)(O)CC1(O)CCCCC1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
The InChIKey is HWVDSKARYOXAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,11)8-10(12)6-4-3-5-7-10/h11-12H,3-8H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 12709673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).