(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane

C11H18S — CID 134945768

IUPAC(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane
SMILESC=C[C@@H]1CCS[C@@H]1/C=C/CCC
InChIInChI=1S/C11H18S/c1-3-5-6-7-11-10(4-2)8-9-12-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3/b7-6+/t10-,11-/m1/s1
InChIKeyJVAOAMYPCOAPAL-AFPRHGJPSA-N
MW182.33 g/mol
LogP3.65
Rot. Bonds4

About (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane

(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane (PubChem CID 134945768) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane.

Molecular Properties

Compound Name(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane
PubChem CID134945768
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane
SMILESC=C[C@@H]1CCS[C@@H]1/C=C/CCC
InChIInChI=1S/C11H18S/c1-3-5-6-7-11-10(4-2)8-9-12-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3/b7-6+/t10-,11-/m1/s1
InChIKeyJVAOAMYPCOAPAL-AFPRHGJPSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.65
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

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
2,3,3a,7a-Tetrahydro-1-benzothiophene
CID 19417554
Tetrahydrobenzothiophene
CID 19831276
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
(2S,3R)-2-[(E)-2-fluoroethenyl]-3,4,5-trimethyl-2,3-dihydrothiophene
CID 164114816
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159
3-Methyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429912
3-Ethyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429915
5-Butan-2-yl-2,3-dihydrothiophene
CID 15191429
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
3-(7-Thio-4-undecenyl)tetrahydrothiophene
CID 129812798
2-[2-[(1R,2Z,6Z)-cycloocta-2,6-dien-1-yl]ethyl]-1,3-dithiolane
CID 134831164

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane?
The IUPAC name of (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane (CID 134945768) is (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane.
What is the SMILES notation for (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane?
The canonical SMILES for (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane is C=C[C@@H]1CCS[C@@H]1/C=C/CCC.
What is the InChIKey of (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane?
The InChIKey is JVAOAMYPCOAPAL-AFPRHGJPSA-N. The full InChI is InChI=1S/C11H18S/c1-3-5-6-7-11-10(4-2)8-9-12-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3/b7-6+/t10-,11-/m1/s1.
What are the key properties of (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane?
(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane has a molecular weight of 182.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane is sourced from PubChem (CID 134945768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).