ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene

C19H24S — CID 144936144

IUPACethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene
SMILESCC.CC#Cc1ccc(C(C)(C)Cc2cccs2)cc1
InChIInChI=1S/C17H18S.C2H6/c1-4-6-14-8-10-15(11-9-14)17(2,3)13-16-7-5-12-18-16;1-2/h5,7-12H,13H2,1-3H3;1-2H3
InChIKeyFNVRKIUNLYJAHS-UHFFFAOYSA-N
MW284.47 g/mol
LogP5.67
Rot. Bonds3

About ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene

ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene (PubChem CID 144936144) has the molecular formula C19H24S and a molecular weight of 284.47 g/mol. Its IUPAC name is ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene.

Molecular Properties

Compound Nameethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene
PubChem CID144936144
Molecular FormulaC19H24S
Molecular Weight284.47 g/mol
Exact Mass284.16
IUPAC Nameethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene
SMILESCC.CC#Cc1ccc(C(C)(C)Cc2cccs2)cc1
InChIInChI=1S/C17H18S.C2H6/c1-4-6-14-8-10-15(11-9-14)17(2,3)13-16-7-5-12-18-16;1-2/h5,7-12H,13H2,1-3H3;1-2H3
InChIKeyFNVRKIUNLYJAHS-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
CID 117048848
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
CID 80556236
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
2-(4-thiophen-2-ylbut-2-ynyl)thiophene
CID 102075129
2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048933
2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048938
2,2-dimethyl-3-thiophen-2-ylpropanethioamide
CID 174989051
2,2-dimethylpropan-1-amine;ethane;prop-1-ynylbenzene
CID 143509882
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene?
The IUPAC name of ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene (CID 144936144) is ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene.
What is the SMILES notation for ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene?
The canonical SMILES for ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene is CC.CC#Cc1ccc(C(C)(C)Cc2cccs2)cc1.
What is the InChIKey of ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene?
The InChIKey is FNVRKIUNLYJAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S.C2H6/c1-4-6-14-8-10-15(11-9-14)17(2,3)13-16-7-5-12-18-16;1-2/h5,7-12H,13H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene?
ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene has a molecular weight of 284.47 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene is sourced from PubChem (CID 144936144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).