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

C11H20O — CID 67125690

IUPAC(1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol
SMILESCC(C)=CCC1([C@H](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/t10-/m0/s1
InChIKeyBUMPOQSUAZTDAA-JTQLQIEISA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds3

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

(1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol (PubChem CID 67125690) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol
PubChem CID67125690
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol
SMILESCC(C)=CCC1([C@H](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/t10-/m0/s1
InChIKeyBUMPOQSUAZTDAA-JTQLQIEISA-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 (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
The IUPAC name of (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol (CID 67125690) is (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol.
What is the SMILES notation for (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
The canonical SMILES for (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol is CC(C)=CCC1([C@H](C)O)CCC1.
What is the InChIKey of (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
The InChIKey is BUMPOQSUAZTDAA-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol?
(1S)-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 (1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]ethanol is sourced from PubChem (CID 67125690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).