ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene

C18H26S — CID 162444181

IUPACethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene
SMILESCC.CCC/C(=C\C1=CCc2ccccc21)SCC
InChIInChI=1S/C16H20S.C2H6/c1-3-7-15(17-4-2)12-14-11-10-13-8-5-6-9-16(13)14;1-2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3;1-2H3/b15-12+;
InChIKeyOXJXAQIWVGVLEX-JRUHLWALSA-N
MW274.47 g/mol
LogP6.09
Rot. Bonds5

About ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene

ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene (PubChem CID 162444181) has the molecular formula C18H26S and a molecular weight of 274.47 g/mol. Its IUPAC name is ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene.

Molecular Properties

Compound Nameethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene
PubChem CID162444181
Molecular FormulaC18H26S
Molecular Weight274.47 g/mol
Exact Mass274.18
IUPAC Nameethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene
SMILESCC.CCC/C(=C\C1=CCc2ccccc21)SCC
InChIInChI=1S/C16H20S.C2H6/c1-3-7-15(17-4-2)12-14-11-10-13-8-5-6-9-16(13)14;1-2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3;1-2H3/b15-12+;
InChIKeyOXJXAQIWVGVLEX-JRUHLWALSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.47
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene
CID 143829874
ethane;3H-inden-1-yl(dimethyl)borane
CID 90749071
ethyl 3-(3H-inden-1-yl)prop-2-enoate
CID 54446933
ethane;3-methyl-1H-indene
CID 90920725
bis(9H-fluorene);methane;pentane
CID 158815702
dichlorozirconium;3-propyl-1H-indene
CID 175084745
ethane;1-(3H-inden-1-yl)ethanol;methane
CID 159608364
bis(9H-fluorene);pentane
CID 159146463
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
butyl 3-(3H-inden-1-yl)propanoate
CID 22758162
ethane;9H-fluorene;methane;methoxyethane;propane
CID 159155851
ethane;9H-fluorene;propanoic acid
CID 90836645

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene?
The IUPAC name of ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene (CID 162444181) is ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene.
What is the SMILES notation for ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene?
The canonical SMILES for ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene is CC.CCC/C(=C\C1=CCc2ccccc21)SCC.
What is the InChIKey of ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene?
The InChIKey is OXJXAQIWVGVLEX-JRUHLWALSA-N. The full InChI is InChI=1S/C16H20S.C2H6/c1-3-7-15(17-4-2)12-14-11-10-13-8-5-6-9-16(13)14;1-2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3;1-2H3/b15-12+;.
What are the key properties of ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene?
ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene has a molecular weight of 274.47 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene is sourced from PubChem (CID 162444181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).