2-methyl-1-thiophen-2-yldecane-1,3-dione

C15H22O2S — CID 61333341

IUPAC2-methyl-1-thiophen-2-yldecane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)c1cccs1
InChIInChI=1S/C15H22O2S/c1-3-4-5-6-7-9-13(16)12(2)15(17)14-10-8-11-18-14/h8,10-12H,3-7,9H2,1-2H3
InChIKeyPGYARYDCBFPVAF-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.50
Rot. Bonds9

About 2-methyl-1-thiophen-2-yldecane-1,3-dione

2-methyl-1-thiophen-2-yldecane-1,3-dione (PubChem CID 61333341) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-yldecane-1,3-dione.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-yldecane-1,3-dione
PubChem CID61333341
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-methyl-1-thiophen-2-yldecane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)c1cccs1
InChIInChI=1S/C15H22O2S/c1-3-4-5-6-7-9-13(16)12(2)15(17)14-10-8-11-18-14/h8,10-12H,3-7,9H2,1-2H3
InChIKeyPGYARYDCBFPVAF-UHFFFAOYSA-N
XLogP4.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,3-dibutyl-1,4-dithiophen-2-ylbutane-1,4-dione
CID 3628681
25-methylnonatetracontane-24,26-dione
CID 173069947
2-(thiophene-2-carbonyl)hexanoic acid
CID 69343472
1-(furan-2-yl)-2-methyldecane-1,3-dione
CID 62633228
3-butylsulfanyl-2-(butylsulfanylmethyl)-1-thiophen-2-ylpropan-1-one
CID 13468320
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517
heptyl thiophene-2-carboxylate
CID 574115
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-yldecane-1,3-dione?
The IUPAC name of 2-methyl-1-thiophen-2-yldecane-1,3-dione (CID 61333341) is 2-methyl-1-thiophen-2-yldecane-1,3-dione.
What is the SMILES notation for 2-methyl-1-thiophen-2-yldecane-1,3-dione?
The canonical SMILES for 2-methyl-1-thiophen-2-yldecane-1,3-dione is CCCCCCCC(=O)C(C)C(=O)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-yldecane-1,3-dione?
The InChIKey is PGYARYDCBFPVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-3-4-5-6-7-9-13(16)12(2)15(17)14-10-8-11-18-14/h8,10-12H,3-7,9H2,1-2H3.
What are the key properties of 2-methyl-1-thiophen-2-yldecane-1,3-dione?
2-methyl-1-thiophen-2-yldecane-1,3-dione has a molecular weight of 266.41 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-yldecane-1,3-dione is sourced from PubChem (CID 61333341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).