2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol

C10H20O2 — CID 130127185

IUPAC2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol
SMILESCC(O)C1(C)CCC1C(C)(C)O
InChIInChI=1S/C10H20O2/c1-7(11)10(4)6-5-8(10)9(2,3)12/h7-8,11-12H,5-6H2,1-4H3
InChIKeyXUADIWMICTXKRX-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.55
Rot. Bonds2

About 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol

2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol (PubChem CID 130127185) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol
PubChem CID130127185
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol
SMILESCC(O)C1(C)CCC1C(C)(C)O
InChIInChI=1S/C10H20O2/c1-7(11)10(4)6-5-8(10)9(2,3)12/h7-8,11-12H,5-6H2,1-4H3
InChIKeyXUADIWMICTXKRX-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutane-1-carbaldehyde
CID 15119245
cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol
CID 101243669
2-[4-ethenyl-3-(2-hydroxypropan-2-yl)-4-methylcyclohexyl]propan-2-ol
CID 163027989
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
1-cyclopropyl-2,2,3-trimethylbutan-1-ol
CID 89233479
1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
CID 138606662
1-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 130146410
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
CID 15801257
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
CID 124810976
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
CID 79127155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol?
The IUPAC name of 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol (CID 130127185) is 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol?
The canonical SMILES for 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol is CC(O)C1(C)CCC1C(C)(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol?
The InChIKey is XUADIWMICTXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(11)10(4)6-5-8(10)9(2,3)12/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol?
2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol is sourced from PubChem (CID 130127185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).