2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene

C12H22OS — CID 123185657

IUPAC2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene
SMILESCCOCCC1(C)CC=C(C(C)C)S1
InChIInChI=1S/C12H22OS/c1-5-13-9-8-12(4)7-6-11(14-12)10(2)3/h6,10H,5,7-9H2,1-4H3
InChIKeyPDXOSIMIVNCTBF-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene

2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene (PubChem CID 123185657) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene
PubChem CID123185657
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene
SMILESCCOCCC1(C)CC=C(C(C)C)S1
InChIInChI=1S/C12H22OS/c1-5-13-9-8-12(4)7-6-11(14-12)10(2)3/h6,10H,5,7-9H2,1-4H3
InChIKeyPDXOSIMIVNCTBF-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.85
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-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol
CID 118437141
2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethyl acetate
CID 118447616
5-(2-ethoxyethyl)-5-methyl-2-propan-2-yl-2H-thiophene
CID 123140848
2-(Cyclopenten-1-ylsulfanyl)-2-methyloxolane
CID 140338717
2-(2-Ethoxyethyl)-2,3,4-trimethyl-5-methylidenethiophene
CID 142075081
1-(1-Butylsulfanylethoxy)-4-methylcyclopentene
CID 145634568
(2S,4R)-2-methoxy-4-[(Z)-prop-1-enyl]thiane
CID 153213014
(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene
CID 170357846
3-(2-Methoxyethyl)-4,5-dimethyl-2,3-dihydrothiophene
CID 174567378
2-(2,6-Dimethylhept-5-enyl)-1,3-oxathiolane
CID 11206674
2-[(2S)-2,6-dimethylhept-5-enyl]-1,3-oxathiolane
CID 11241364

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene?
The IUPAC name of 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene (CID 123185657) is 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene.
What is the SMILES notation for 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene?
The canonical SMILES for 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene is CCOCCC1(C)CC=C(C(C)C)S1.
What is the InChIKey of 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene?
The InChIKey is PDXOSIMIVNCTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-5-13-9-8-12(4)7-6-11(14-12)10(2)3/h6,10H,5,7-9H2,1-4H3.
What are the key properties of 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene?
2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene has a molecular weight of 214.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-2-methyl-5-propan-2-yl-3H-thiophene is sourced from PubChem (CID 123185657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).