1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane

C11H18S2 — CID 138985190

IUPAC1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
SMILESCS/C=C/C1CCC(/C=C/SC)C1
InChIInChI=1S/C11H18S2/c1-12-7-5-10-3-4-11(9-10)6-8-13-2/h5-8,10-11H,3-4,9H2,1-2H3/b7-5+,8-6+
InChIKeyZNBBUQGPMJETLQ-KQQUZDAGSA-N
MW214.40 g/mol
LogP4.16
Rot. Bonds4

About 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane

1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane (PubChem CID 138985190) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane.

Molecular Properties

Compound Name1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
PubChem CID138985190
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
SMILESCS/C=C/C1CCC(/C=C/SC)C1
InChIInChI=1S/C11H18S2/c1-12-7-5-10-3-4-11(9-10)6-8-13-2/h5-8,10-11H,3-4,9H2,1-2H3/b7-5+,8-6+
InChIKeyZNBBUQGPMJETLQ-KQQUZDAGSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane
CID 138985191
2-(5-Methylocta-1,7-dien-4-ylidene)-1,3-dithiolane
CID 11775892
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
2,3-Di(propan-2-yl)-2,3-dihydrothiophene
CID 58469891
(Z)-6-methyl-1-methylsulfanylhept-1-ene
CID 89045625
(Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene
CID 89223127
(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene
CID 89270962
5-Methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene
CID 90866034
6-(Ethyldisulfanyl)-3,6-dimethylhept-1-ene
CID 138715651
2-Propylpent-4-ene-1,3-dithiol
CID 146231671
3-Butan-2-yl-2-methyl-2,3-dihydrothiophene
CID 163543772
(Z)-1-ethenylsulfanyl-4-methyloct-1-ene
CID 167200052

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
The IUPAC name of 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane (CID 138985190) is 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane.
What is the SMILES notation for 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
The canonical SMILES for 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane is CS/C=C/C1CCC(/C=C/SC)C1.
What is the InChIKey of 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
The InChIKey is ZNBBUQGPMJETLQ-KQQUZDAGSA-N. The full InChI is InChI=1S/C11H18S2/c1-12-7-5-10-3-4-11(9-10)6-8-13-2/h5-8,10-11H,3-4,9H2,1-2H3/b7-5+,8-6+.
What are the key properties of 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane has a molecular weight of 214.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane is sourced from PubChem (CID 138985190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).