2-(2-butan-2-ylcyclopropyl)ethanol

C9H18O — CID 123287360

IUPAC2-(2-butan-2-ylcyclopropyl)ethanol
SMILESCCC(C)C1CC1CCO
InChIInChI=1S/C9H18O/c1-3-7(2)9-6-8(9)4-5-10/h7-10H,3-6H2,1-2H3
InChIKeyXGBXUKKNJAMIFD-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-butan-2-ylcyclopropyl)ethanol

2-(2-butan-2-ylcyclopropyl)ethanol (PubChem CID 123287360) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(2-butan-2-ylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(2-butan-2-ylcyclopropyl)ethanol
PubChem CID123287360
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(2-butan-2-ylcyclopropyl)ethanol
SMILESCCC(C)C1CC1CCO
InChIInChI=1S/C9H18O/c1-3-7(2)9-6-8(9)4-5-10/h7-10H,3-6H2,1-2H3
InChIKeyXGBXUKKNJAMIFD-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-butan-2-ylcyclopropyl)-N-methylpentan-1-amine
CID 155441990
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
2-[(2-butan-2-ylcyclopropyl)-methylamino]ethanol
CID 89249360
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol
CID 121291205
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
1-butan-2-yl-2-ethylcyclobutane
CID 91142944
2-butan-2-ylcyclobutane-1-carboxylic acid
CID 81008114
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylcyclopropyl)ethanol?
The IUPAC name of 2-(2-butan-2-ylcyclopropyl)ethanol (CID 123287360) is 2-(2-butan-2-ylcyclopropyl)ethanol.
What is the SMILES notation for 2-(2-butan-2-ylcyclopropyl)ethanol?
The canonical SMILES for 2-(2-butan-2-ylcyclopropyl)ethanol is CCC(C)C1CC1CCO.
What is the InChIKey of 2-(2-butan-2-ylcyclopropyl)ethanol?
The InChIKey is XGBXUKKNJAMIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-7(2)9-6-8(9)4-5-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylcyclopropyl)ethanol?
2-(2-butan-2-ylcyclopropyl)ethanol has a molecular weight of 142.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylcyclopropyl)ethanol is sourced from PubChem (CID 123287360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).