2-decyl-2,3,4-trimethyl-5-methylidenethiophene

C18H32S — CID 142075084

IUPAC2-decyl-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(CCCCCCCCCC)C(C)=C1C
InChIInChI=1S/C18H32S/c1-6-7-8-9-10-11-12-13-14-18(5)16(3)15(2)17(4)19-18/h4,6-14H2,1-3,5H3
InChIKeyZNRHKEGYUVLGOL-UHFFFAOYSA-N
MW280.52 g/mol
LogP6.87
Rot. Bonds9

About 2-decyl-2,3,4-trimethyl-5-methylidenethiophene

2-decyl-2,3,4-trimethyl-5-methylidenethiophene (PubChem CID 142075084) has the molecular formula C18H32S and a molecular weight of 280.52 g/mol. Its IUPAC name is 2-decyl-2,3,4-trimethyl-5-methylidenethiophene.

Molecular Properties

Compound Name2-decyl-2,3,4-trimethyl-5-methylidenethiophene
PubChem CID142075084
Molecular FormulaC18H32S
Molecular Weight280.52 g/mol
Exact Mass280.22
IUPAC Name2-decyl-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(CCCCCCCCCC)C(C)=C1C
InChIInChI=1S/C18H32S/c1-6-7-8-9-10-11-12-13-14-18(5)16(3)15(2)17(4)19-18/h4,6-14H2,1-3,5H3
InChIKeyZNRHKEGYUVLGOL-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.52
LogP ≤ 56.87
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-3,4-dimethyl-5-methylidenethiophen-2-ol
CID 142075085
(5R)-5-decyl-4-hydroxy-3,5-dimethylthiophen-2-one
CID 136502772
(5R)-5-hexyl-4,5-dimethylthiophen-2-one
CID 59131231
5-decyl-3,5-dimethylthiolane-2,4-dione
CID 91220304
(5R)-5-hexyl-4-hydroxy-5-methylthiophen-2-one
CID 135449011
5-methyl-5-octyl-3,3-bis(prop-2-enyl)thiolane-2,4-dione
CID 11738801
(5S)-5-decyl-4-methoxy-3,5-dimethylthiophen-2-one;(5R)-5-decyl-3,3,5-trimethylthiolane-2,4-dione
CID 158073082
4-hexyl-2,4,6-trimethylthiopyran
CID 123237129
[(1S,2R)-2-hexyl-2-methyl-3-methylidenecyclopropyl]methanol
CID 102592385
(5R)-3,4,5-trimethyl-5-pentylfuran-2-one
CID 102465810
5-methyl-5-octyl-4-prop-2-enoxy-3-prop-2-enylthiophen-2-one
CID 11198074
(3Z)-5-methyl-5-octyl-3-(2,2,2-trifluoro-1-hydroxyethylidene)thiolane-2,4-dione
CID 135499822

Frequently Asked Questions

What is the IUPAC name of 2-decyl-2,3,4-trimethyl-5-methylidenethiophene?
The IUPAC name of 2-decyl-2,3,4-trimethyl-5-methylidenethiophene (CID 142075084) is 2-decyl-2,3,4-trimethyl-5-methylidenethiophene.
What is the SMILES notation for 2-decyl-2,3,4-trimethyl-5-methylidenethiophene?
The canonical SMILES for 2-decyl-2,3,4-trimethyl-5-methylidenethiophene is C=C1SC(C)(CCCCCCCCCC)C(C)=C1C.
What is the InChIKey of 2-decyl-2,3,4-trimethyl-5-methylidenethiophene?
The InChIKey is ZNRHKEGYUVLGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32S/c1-6-7-8-9-10-11-12-13-14-18(5)16(3)15(2)17(4)19-18/h4,6-14H2,1-3,5H3.
What are the key properties of 2-decyl-2,3,4-trimethyl-5-methylidenethiophene?
2-decyl-2,3,4-trimethyl-5-methylidenethiophene has a molecular weight of 280.52 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-2,3,4-trimethyl-5-methylidenethiophene is sourced from PubChem (CID 142075084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).