2-cyclobutylethanethial

C6H10S — CID 58279661

IUPAC2-cyclobutylethanethial
SMILESS=CCC1CCC1
InChIInChI=1S/C6H10S/c7-5-4-6-2-1-3-6/h5-6H,1-4H2
InChIKeyAXKZQYSVMSBDEQ-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.18
Rot. Bonds2

About 2-cyclobutylethanethial

2-cyclobutylethanethial (PubChem CID 58279661) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-cyclobutylethanethial.

Molecular Properties

Compound Name2-cyclobutylethanethial
PubChem CID58279661
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-cyclobutylethanethial
SMILESS=CCC1CCC1
InChIInChI=1S/C6H10S/c7-5-4-6-2-1-3-6/h5-6H,1-4H2
InChIKeyAXKZQYSVMSBDEQ-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutylethanimine
CID 123915190
4-iodobut-2-enylcyclobutane
CID 72646818
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine
CID 130177968
2-cyclopentylacetaldehyde;2-cyclopentylethanol
CID 158462189
2,2-dicyclopropylethylcyclobutane
CID 57317303
3-cyclooctylprop-1-en-1-one
CID 19699923
3-methylbut-2-enylcyclohexane
CID 57116063
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
(2S)-3-cyclobutyl-2-fluoropropan-1-amine
CID 129375572
2-cyclobutyl-N-(2-methylprop-1-enyl)ethanimine;propane
CID 142361187
[(E)-4,4-dimethylpent-2-enyl]cyclopentane
CID 158566711

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethanethial?
The IUPAC name of 2-cyclobutylethanethial (CID 58279661) is 2-cyclobutylethanethial.
What is the SMILES notation for 2-cyclobutylethanethial?
The canonical SMILES for 2-cyclobutylethanethial is S=CCC1CCC1.
What is the InChIKey of 2-cyclobutylethanethial?
The InChIKey is AXKZQYSVMSBDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c7-5-4-6-2-1-3-6/h5-6H,1-4H2.
What are the key properties of 2-cyclobutylethanethial?
2-cyclobutylethanethial has a molecular weight of 114.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethanethial is sourced from PubChem (CID 58279661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).