ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane

C19H32S — CID 142853630

IUPACethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane
SMILESC.C=C.C=C.C=C/C=C(\C=C)Cc1ccc(C)s1.CC
InChIInChI=1S/C12H14S.C2H6.2C2H4.CH4/c1-4-6-11(5-2)9-12-8-7-10(3)13-12;3*1-2;/h4-8H,1-2,9H2,3H3;1-2H3;2*1-2H2;1H4/b11-6+;;;;
InChIKeyNHMHKNRHWYUPJP-ZUXDPTBISA-N
MW292.53 g/mol
LogP7.16
Rot. Bonds4

About ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane

ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane (PubChem CID 142853630) has the molecular formula C19H32S and a molecular weight of 292.53 g/mol. Its IUPAC name is ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane.

Molecular Properties

Compound Nameethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane
PubChem CID142853630
Molecular FormulaC19H32S
Molecular Weight292.53 g/mol
Exact Mass292.22
IUPAC Nameethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane
SMILESC.C=C.C=C.C=C/C=C(\C=C)Cc1ccc(C)s1.CC
InChIInChI=1S/C12H14S.C2H6.2C2H4.CH4/c1-4-6-11(5-2)9-12-8-7-10(3)13-12;3*1-2;/h4-8H,1-2,9H2,3H3;1-2H3;2*1-2H2;1H4/b11-6+;;;;
InChIKeyNHMHKNRHWYUPJP-ZUXDPTBISA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.53
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5-methylthiophene
CID 130391131
(1Z)-1-(5-methylthiophen-2-yl)buta-1,3-diene-1-thiol
CID 142100877
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
CID 142908128
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
N,N-dimethyl-2-(5-methylthiophen-2-yl)acetamide
CID 127015462
acetylene;ethane;2-ethyl-5-methylthiophene
CID 143080420
2-(5-methylthiophen-2-yl)acetohydrazide
CID 130978061
2-ethyl-5-methylthiophene;formic acid
CID 143679762
2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene
CID 142100989
3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline
CID 143380656

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane?
The IUPAC name of ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane (CID 142853630) is ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane.
What is the SMILES notation for ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane?
The canonical SMILES for ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane is C.C=C.C=C.C=C/C=C(\C=C)Cc1ccc(C)s1.CC.
What is the InChIKey of ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane?
The InChIKey is NHMHKNRHWYUPJP-ZUXDPTBISA-N. The full InChI is InChI=1S/C12H14S.C2H6.2C2H4.CH4/c1-4-6-11(5-2)9-12-8-7-10(3)13-12;3*1-2;/h4-8H,1-2,9H2,3H3;1-2H3;2*1-2H2;1H4/b11-6+;;;;.
What are the key properties of ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane?
ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane has a molecular weight of 292.53 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane is sourced from PubChem (CID 142853630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).