ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene

C16H20 — CID 143829874

IUPACethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene
SMILESC/C=C\C=C/C1=CCc2ccccc21.CC
InChIInChI=1S/C14H14.C2H6/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13;1-2/h2-10H,11H2,1H3;1-2H3/b3-2-,7-4-;
InChIKeyXKJIFTPHFVDWJK-YBWDWWGFSA-N
MW212.34 g/mol
LogP4.78
Rot. Bonds2

About ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene

ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene (PubChem CID 143829874) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene.

Molecular Properties

Compound Nameethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene
PubChem CID143829874
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Nameethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene
SMILESC/C=C\C=C/C1=CCc2ccccc21.CC
InChIInChI=1S/C14H14.C2H6/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13;1-2/h2-10H,11H2,1H3;1-2H3/b3-2-,7-4-;
InChIKeyXKJIFTPHFVDWJK-YBWDWWGFSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3H-inden-1-yl)prop-2-enoate
CID 54446933
ethane;3-methyl-1H-indene
CID 90920725
ethane;3-[(E)-2-ethylsulfanylpent-1-enyl]-1H-indene
CID 162444181
ethane;3H-inden-1-yl(dimethyl)borane
CID 90749071
ethane;1H-indene;2-methylbiphenylene;3-methyl-9H-fluorene;2-methylnaphthalene;3-[(E)-prop-1-enyl]-1H-indene;toluene
CID 162049982
ethane;1-(3H-inden-1-yl)ethanol;methane
CID 159608364
ethane;methane;3-methylsulfonyl-1H-indene
CID 160773183
ethane;3-[(E)-prop-1-enyl]-1H-isoindole
CID 157348217
3-(chloromethyl)-1H-indene
CID 55301076
CID 18314663
CID 18314663
ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole
CID 143924037
3-(3-bromobutan-2-yl)-1H-indene
CID 21495321

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene?
The IUPAC name of ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene (CID 143829874) is ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene.
What is the SMILES notation for ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene?
The canonical SMILES for ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene is C/C=C\C=C/C1=CCc2ccccc21.CC.
What is the InChIKey of ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene?
The InChIKey is XKJIFTPHFVDWJK-YBWDWWGFSA-N. The full InChI is InChI=1S/C14H14.C2H6/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13;1-2/h2-10H,11H2,1H3;1-2H3/b3-2-,7-4-;.
What are the key properties of ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene?
ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene has a molecular weight of 212.34 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(1Z,3Z)-penta-1,3-dienyl]-1H-indene is sourced from PubChem (CID 143829874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).