2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene

C12H20OS — CID 142075081

IUPAC2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(CCOCC)C(C)=C1C
InChIInChI=1S/C12H20OS/c1-6-13-8-7-12(5)10(3)9(2)11(4)14-12/h4,6-8H2,1-3,5H3
InChIKeyHPNLHMUGDZFMAQ-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene

2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene (PubChem CID 142075081) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene
PubChem CID142075081
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene
SMILESC=C1SC(C)(CCOCC)C(C)=C1C
InChIInChI=1S/C12H20OS/c1-6-13-8-7-12(5)10(3)9(2)11(4)14-12/h4,6-8H2,1-3,5H3
InChIKeyHPNLHMUGDZFMAQ-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene
CID 123185657
3-(2-Methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene
CID 174567378

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene?
The IUPAC name of 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene (CID 142075081) is 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene.
What is the SMILES notation for 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene?
The canonical SMILES for 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene is C=C1SC(C)(CCOCC)C(C)=C1C.
What is the InChIKey of 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene?
The InChIKey is HPNLHMUGDZFMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-6-13-8-7-12(5)10(3)9(2)11(4)14-12/h4,6-8H2,1-3,5H3.
What are the key properties of 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene?
2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene has a molecular weight of 212.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene is sourced from PubChem (CID 142075081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).