ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene

C17H20 — CID 143232053

IUPACethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene
SMILESC=C/C=C1\C(=C)C(=C)c2c(C)cccc21.CC
InChIInChI=1S/C15H14.C2H6/c1-5-7-13-11(3)12(4)15-10(2)8-6-9-14(13)15;1-2/h5-9H,1,3-4H2,2H3;1-2H3/b13-7+;
InChIKeyUAHUTSPSTGXLAN-FTPOTTDRSA-N
MW224.35 g/mol
LogP5.17
Rot. Bonds1

About ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene

ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene (PubChem CID 143232053) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene.

Molecular Properties

Compound Nameethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene
PubChem CID143232053
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Nameethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene
SMILESC=C/C=C1\C(=C)C(=C)c2c(C)cccc21.CC
InChIInChI=1S/C15H14.C2H6/c1-5-7-13-11(3)12(4)15-10(2)8-6-9-14(13)15;1-2/h5-9H,1,3-4H2,2H3;1-2H3/b13-7+;
InChIKeyUAHUTSPSTGXLAN-FTPOTTDRSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene?
The IUPAC name of ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene (CID 143232053) is ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene.
What is the SMILES notation for ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene?
The canonical SMILES for ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene is C=C/C=C1\C(=C)C(=C)c2c(C)cccc21.CC.
What is the InChIKey of ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene?
The InChIKey is UAHUTSPSTGXLAN-FTPOTTDRSA-N. The full InChI is InChI=1S/C15H14.C2H6/c1-5-7-13-11(3)12(4)15-10(2)8-6-9-14(13)15;1-2/h5-9H,1,3-4H2,2H3;1-2H3/b13-7+;.
What are the key properties of ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene?
ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene has a molecular weight of 224.35 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-4-methyl-2,3-dimethylidene-1-prop-2-enylideneindene is sourced from PubChem (CID 143232053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).