cyclobutylmethanol;ethanol

C7H16O2 — CID 68532840

IUPACcyclobutylmethanol;ethanol
SMILESCCO.OCC1CCC1
InChIInChI=1S/C5H10O.C2H6O/c6-4-5-2-1-3-5;1-2-3/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyBIGHXGXYCCCBSN-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.78
Rot. Bonds1

About cyclobutylmethanol;ethanol

cyclobutylmethanol;ethanol (PubChem CID 68532840) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is cyclobutylmethanol;ethanol.

Molecular Properties

Compound Namecyclobutylmethanol;ethanol
PubChem CID68532840
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Namecyclobutylmethanol;ethanol
SMILESCCO.OCC1CCC1
InChIInChI=1S/C5H10O.C2H6O/c6-4-5-2-1-3-5;1-2-3/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyBIGHXGXYCCCBSN-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131020197
[(3S)-3-aminocyclohexyl]methanol
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cyclohexylmethanol;sulfuric acid
CID 71362926
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
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[4-(cyclobutylmethoxy)cyclohexyl]methanol
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Frequently Asked Questions

What is the IUPAC name of cyclobutylmethanol;ethanol?
The IUPAC name of cyclobutylmethanol;ethanol (CID 68532840) is cyclobutylmethanol;ethanol.
What is the SMILES notation for cyclobutylmethanol;ethanol?
The canonical SMILES for cyclobutylmethanol;ethanol is CCO.OCC1CCC1.
What is the InChIKey of cyclobutylmethanol;ethanol?
The InChIKey is BIGHXGXYCCCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C2H6O/c6-4-5-2-1-3-5;1-2-3/h5-6H,1-4H2;3H,2H2,1H3.
What are the key properties of cyclobutylmethanol;ethanol?
cyclobutylmethanol;ethanol has a molecular weight of 132.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethanol;ethanol is sourced from PubChem (CID 68532840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).