(1S)-1-cyclobutylethanol

C6H12O — CID 40578277

IUPAC(1S)-1-cyclobutylethanol
SMILESC[C@H](O)C1CCC1
InChIInChI=1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKeyPFGPCAYJUYSJJS-YFKPBYRVSA-N
MW100.16 g/mol
LogP1.17
Rot. Bonds1

About (1S)-1-cyclobutylethanol

(1S)-1-cyclobutylethanol (PubChem CID 40578277) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (1S)-1-cyclobutylethanol.

Molecular Properties

Compound Name(1S)-1-cyclobutylethanol
PubChem CID40578277
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(1S)-1-cyclobutylethanol
SMILESC[C@H](O)C1CCC1
InChIInChI=1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKeyPFGPCAYJUYSJJS-YFKPBYRVSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutylethanol?
The IUPAC name of (1S)-1-cyclobutylethanol (CID 40578277) is (1S)-1-cyclobutylethanol.
What is the SMILES notation for (1S)-1-cyclobutylethanol?
The canonical SMILES for (1S)-1-cyclobutylethanol is C[C@H](O)C1CCC1.
What is the InChIKey of (1S)-1-cyclobutylethanol?
The InChIKey is PFGPCAYJUYSJJS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-cyclobutylethanol?
(1S)-1-cyclobutylethanol has a molecular weight of 100.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutylethanol is sourced from PubChem (CID 40578277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).