2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane

C15H24S — CID 70946890

IUPAC2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane
SMILESCC/C=C/C1CCCC1/C=C/C1CCCS1
InChIInChI=1S/C15H24S/c1-2-3-6-13-7-4-8-14(13)10-11-15-9-5-12-16-15/h3,6,10-11,13-15H,2,4-5,7-9,12H2,1H3/b6-3+,11-10+
InChIKeyJMZXKOVKVNCMTN-OEOWWQEBSA-N
MW236.42 g/mol
LogP4.82
Rot. Bonds4

About 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane

2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane (PubChem CID 70946890) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane.

Molecular Properties

Compound Name2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane
PubChem CID70946890
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane
SMILESCC/C=C/C1CCCC1/C=C/C1CCCS1
InChIInChI=1S/C15H24S/c1-2-3-6-13-7-4-8-14(13)10-11-15-9-5-12-16-15/h3,6,10-11,13-15H,2,4-5,7-9,12H2,1H3/b6-3+,11-10+
InChIKeyJMZXKOVKVNCMTN-OEOWWQEBSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
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 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane?
The IUPAC name of 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane (CID 70946890) is 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane.
What is the SMILES notation for 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane?
The canonical SMILES for 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane is CC/C=C/C1CCCC1/C=C/C1CCCS1.
What is the InChIKey of 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane?
The InChIKey is JMZXKOVKVNCMTN-OEOWWQEBSA-N. The full InChI is InChI=1S/C15H24S/c1-2-3-6-13-7-4-8-14(13)10-11-15-9-5-12-16-15/h3,6,10-11,13-15H,2,4-5,7-9,12H2,1H3/b6-3+,11-10+.
What are the key properties of 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane?
2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane has a molecular weight of 236.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane is sourced from PubChem (CID 70946890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).