2-nonyl-2,3-dihydrothiophene

C13H24S — CID 90878988

IUPAC2-nonyl-2,3-dihydrothiophene
SMILESCCCCCCCCCC1CC=CS1
InChIInChI=1S/C13H24S/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyUHELPDNQQDOQNR-UHFFFAOYSA-N
MW212.40 g/mol
LogP5.15
Rot. Bonds8

About 2-nonyl-2,3-dihydrothiophene

2-nonyl-2,3-dihydrothiophene (PubChem CID 90878988) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 2-nonyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-nonyl-2,3-dihydrothiophene
PubChem CID90878988
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name2-nonyl-2,3-dihydrothiophene
SMILESCCCCCCCCCC1CC=CS1
InChIInChI=1S/C13H24S/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyUHELPDNQQDOQNR-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.40
LogP ≤ 55.15
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

2-butyl-2,3-dihydrothiophene
CID 57171816
5-(2,3-dihydrothiophen-2-yl)pentan-2-one
CID 70328768
4-hexylcyclopentene
CID 10487053
3-decylcyclobutene
CID 174421846
2-nonylthietane
CID 21487379
3,12-dioctyl-1,2-diazacyclododeca-1,5,9-triene
CID 56632915
3,12-di(undecyl)-1,2-diazacyclododeca-1,5,9-triene
CID 57073636
4-tetradecylcyclohexene
CID 54499913
(3S)-3-nonylcyclopentene
CID 90814175
3-dodecyldithiolane
CID 89268246
5-decyl-1,3-thiazolidine
CID 175294789
2-tetradecyl-2H-thiopyran
CID 70400433

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-2,3-dihydrothiophene?
The IUPAC name of 2-nonyl-2,3-dihydrothiophene (CID 90878988) is 2-nonyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-nonyl-2,3-dihydrothiophene?
The canonical SMILES for 2-nonyl-2,3-dihydrothiophene is CCCCCCCCCC1CC=CS1.
What is the InChIKey of 2-nonyl-2,3-dihydrothiophene?
The InChIKey is UHELPDNQQDOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,12-13H,2-8,10-11H2,1H3.
What are the key properties of 2-nonyl-2,3-dihydrothiophene?
2-nonyl-2,3-dihydrothiophene has a molecular weight of 212.40 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-2,3-dihydrothiophene is sourced from PubChem (CID 90878988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).