3-(2-propan-2-ylsulfanylethyl)cyclobutene

C9H16S — CID 91223274

IUPAC3-(2-propan-2-ylsulfanylethyl)cyclobutene
SMILESCC(C)SCCC1C=CC1
InChIInChI=1S/C9H16S/c1-8(2)10-7-6-9-4-3-5-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyMYBXMIQHMQACLG-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.09
Rot. Bonds4

About 3-(2-propan-2-ylsulfanylethyl)cyclobutene

3-(2-propan-2-ylsulfanylethyl)cyclobutene (PubChem CID 91223274) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 3-(2-propan-2-ylsulfanylethyl)cyclobutene.

Molecular Properties

Compound Name3-(2-propan-2-ylsulfanylethyl)cyclobutene
PubChem CID91223274
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name3-(2-propan-2-ylsulfanylethyl)cyclobutene
SMILESCC(C)SCCC1C=CC1
InChIInChI=1S/C9H16S/c1-8(2)10-7-6-9-4-3-5-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyMYBXMIQHMQACLG-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 5325632
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2-(2-Fluoronona-1,5-dien-4-yl)thietane
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(Z)-5-fluoro-6-methyl-1-methylsulfanylhept-3-ene
CID 144197213
(2S,3R)-2-[(E)-2-fluoroethenyl]-3,4,5-trimethyl-2,3-dihydrothiophene
CID 164114816
6-Methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 12669525
8-(Butylsulfanyl)octa-1,6-diene
CID 71341057
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
2-Propenylpropylsulphide
CID 129719925
(2R,3R)-2-[(E)-pent-1-enyl]-3-prop-1-en-2-ylthiane
CID 134945717
(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane
CID 134945768
4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran
CID 134965301

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylsulfanylethyl)cyclobutene?
The IUPAC name of 3-(2-propan-2-ylsulfanylethyl)cyclobutene (CID 91223274) is 3-(2-propan-2-ylsulfanylethyl)cyclobutene.
What is the SMILES notation for 3-(2-propan-2-ylsulfanylethyl)cyclobutene?
The canonical SMILES for 3-(2-propan-2-ylsulfanylethyl)cyclobutene is CC(C)SCCC1C=CC1.
What is the InChIKey of 3-(2-propan-2-ylsulfanylethyl)cyclobutene?
The InChIKey is MYBXMIQHMQACLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-8(2)10-7-6-9-4-3-5-9/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylsulfanylethyl)cyclobutene?
3-(2-propan-2-ylsulfanylethyl)cyclobutene has a molecular weight of 156.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylsulfanylethyl)cyclobutene is sourced from PubChem (CID 91223274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).