1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol

C11H20O — CID 58555303

IUPAC1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol
SMILESCC(C)=CCC1(C(C)O)CCC1
InChIInChI=1S/C11H20O/c1-9(2)5-8-11(10(3)12)6-4-7-11/h5,10,12H,4,6-8H2,1-3H3
InChIKeyBUMPOQSUAZTDAA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds3

About 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol

1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol (PubChem CID 58555303) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol
PubChem CID58555303
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol
SMILESCC(C)=CCC1(C(C)O)CCC1
InChIInChI=1S/C11H20O/c1-9(2)5-8-11(10(3)12)6-4-7-11/h5,10,12H,4,6-8H2,1-3H3
InChIKeyBUMPOQSUAZTDAA-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
The IUPAC name of 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol (CID 58555303) is 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol.
What is the SMILES notation for 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
The canonical SMILES for 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol is CC(C)=CCC1(C(C)O)CCC1.
What is the InChIKey of 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
The InChIKey is BUMPOQSUAZTDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)5-8-11(10(3)12)6-4-7-11/h5,10,12H,4,6-8H2,1-3H3.
What are the key properties of 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol is sourced from PubChem (CID 58555303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).