3-decyl-2H-thiopyran

C15H26S — CID 70400204

IUPAC3-decyl-2H-thiopyran
SMILESCCCCCCCCCCC1=CC=CSC1
InChIInChI=1S/C15H26S/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16-14-15/h10,12-13H,2-9,11,14H2,1H3
InChIKeyIPVIMQAAQGYMJB-UHFFFAOYSA-N
MW238.44 g/mol
LogP5.70
Rot. Bonds9

About 3-decyl-2H-thiopyran

3-decyl-2H-thiopyran (PubChem CID 70400204) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is 3-decyl-2H-thiopyran.

Molecular Properties

Compound Name3-decyl-2H-thiopyran
PubChem CID70400204
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Name3-decyl-2H-thiopyran
SMILESCCCCCCCCCCC1=CC=CSC1
InChIInChI=1S/C15H26S/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16-14-15/h10,12-13H,2-9,11,14H2,1H3
InChIKeyIPVIMQAAQGYMJB-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.44
LogP ≤ 55.70
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-Pentylthiapyran
CID 526620
(1E)-12-methylene-1-(3-methylsulfanylpropylsulfanyl)cyclododecene
CID 5799390
2-Heptyl-3,6-dihydro-2H-thiopyran
CID 14175376
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681
3-Hexyl-2,5-dihydrothiophene
CID 57702302
5,6,7,8-Tetrahydrothiochromene
CID 91132125
(1Z)-12-methylidene-1-(3-methylsulfanylpropylsulfanyl)cyclododecene
CID 5468237
(3Z,5Z)-7-fluoro-2-heptylsulfanyl-5-methylhepta-1,3,5-triene
CID 144971730
(2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene
CID 167074445
2-butyl-2H-thiapyran
CID 527051
2-Propyl-2H-thiapyrane
CID 527055
1-Octylsulfanylcyclohexene
CID 10537260

Frequently Asked Questions

What is the IUPAC name of 3-decyl-2H-thiopyran?
The IUPAC name of 3-decyl-2H-thiopyran (CID 70400204) is 3-decyl-2H-thiopyran.
What is the SMILES notation for 3-decyl-2H-thiopyran?
The canonical SMILES for 3-decyl-2H-thiopyran is CCCCCCCCCCC1=CC=CSC1.
What is the InChIKey of 3-decyl-2H-thiopyran?
The InChIKey is IPVIMQAAQGYMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26S/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16-14-15/h10,12-13H,2-9,11,14H2,1H3.
What are the key properties of 3-decyl-2H-thiopyran?
3-decyl-2H-thiopyran has a molecular weight of 238.44 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2H-thiopyran is sourced from PubChem (CID 70400204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).