5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene

C18H20 — CID 144938882

IUPAC5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene
SMILESC=CC(=C)c1ccc2c(c1)C(C=C)=C(C)C2(C)C
InChIInChI=1S/C18H20/c1-7-12(3)14-9-10-17-16(11-14)15(8-2)13(4)18(17,5)6/h7-11H,1-3H2,4-6H3
InChIKeyLVWGYFUBVNERGX-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.14
Rot. Bonds3

About 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene

5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene (PubChem CID 144938882) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene.

Molecular Properties

Compound Name5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene
PubChem CID144938882
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene
SMILESC=CC(=C)c1ccc2c(c1)C(C=C)=C(C)C2(C)C
InChIInChI=1S/C18H20/c1-7-12(3)14-9-10-17-16(11-14)15(8-2)13(4)18(17,5)6/h7-11H,1-3H2,4-6H3
InChIKeyLVWGYFUBVNERGX-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.14
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

3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane
CID 153369649
3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;2,4-dimethyl-1-benzothiophene
CID 153368961
6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine
CID 144808877
5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene
CID 166750866
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
CID 123359012
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
CID 153369638
4-(4-buta-1,3-dien-2-ylphenyl)-9,9-dimethylfluorene
CID 153369240
3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
CID 146669709
1-buta-1,3-dien-2-yl-3-ethenylbenzene
CID 173466216
6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene
CID 144808876

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene?
The IUPAC name of 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene (CID 144938882) is 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene.
What is the SMILES notation for 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene?
The canonical SMILES for 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene is C=CC(=C)c1ccc2c(c1)C(C=C)=C(C)C2(C)C.
What is the InChIKey of 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene?
The InChIKey is LVWGYFUBVNERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-7-12(3)14-9-10-17-16(11-14)15(8-2)13(4)18(17,5)6/h7-11H,1-3H2,4-6H3.
What are the key properties of 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene?
5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene has a molecular weight of 236.36 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene is sourced from PubChem (CID 144938882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).