(2Z)-2-heptylidenethiolane

C11H20S — CID 100984304

IUPAC(2Z)-2-heptylidenethiolane
SMILESCCCCCC/C=C1/CCCS1
InChIInChI=1S/C11H20S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h8H,2-7,9-10H2,1H3/b11-8-
InChIKeyYQGBDTKCAHUPHZ-FLIBITNWSA-N
MW184.35 g/mol
LogP4.37
Rot. Bonds5

About (2Z)-2-heptylidenethiolane

(2Z)-2-heptylidenethiolane (PubChem CID 100984304) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (2Z)-2-heptylidenethiolane.

Molecular Properties

Compound Name(2Z)-2-heptylidenethiolane
PubChem CID100984304
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(2Z)-2-heptylidenethiolane
SMILESCCCCCC/C=C1/CCCS1
InChIInChI=1S/C11H20S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h8H,2-7,9-10H2,1H3/b11-8-
InChIKeyYQGBDTKCAHUPHZ-FLIBITNWSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
(1E)-1-(3-methylsulfanylpropylsulfanyl)cyclododecene
CID 5468236
7-Methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 11194768
5-Butyl-2,3-dihydrothiophene
CID 11062496
2-Heptyl-3,6-dihydro-2H-thiopyran
CID 14175376
Butylthio-cyclooctene
CID 14269925
3-Hexyl-2,5-dihydrothiophene
CID 57702302
2-Heptyl-2,5-dihydrothiophene
CID 57702304
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
1-Butylsulfanylcyclopentene
CID 134985704
2-[(E)-prop-1-enyl]thiolane
CID 21587551
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-heptylidenethiolane?
The IUPAC name of (2Z)-2-heptylidenethiolane (CID 100984304) is (2Z)-2-heptylidenethiolane.
What is the SMILES notation for (2Z)-2-heptylidenethiolane?
The canonical SMILES for (2Z)-2-heptylidenethiolane is CCCCCC/C=C1/CCCS1.
What is the InChIKey of (2Z)-2-heptylidenethiolane?
The InChIKey is YQGBDTKCAHUPHZ-FLIBITNWSA-N. The full InChI is InChI=1S/C11H20S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h8H,2-7,9-10H2,1H3/b11-8-.
What are the key properties of (2Z)-2-heptylidenethiolane?
(2Z)-2-heptylidenethiolane has a molecular weight of 184.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-heptylidenethiolane is sourced from PubChem (CID 100984304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).