(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene

C21H26 — CID 143227246

IUPAC(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene
SMILESC=CC/C=C1C(=C/C(C)C=C)\c2ccc(C)cc2C\1(C)C
InChIInChI=1S/C21H26/c1-7-9-10-19-18(13-15(3)8-2)17-12-11-16(4)14-20(17)21(19,5)6/h7-8,10-15H,1-2,9H2,3-6H3/b18-13-,19-10+
InChIKeyZBZHKHBEFCUWRM-DZPGJBBUSA-N
MW278.44 g/mol
LogP5.99
Rot. Bonds4

About (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene

(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene (PubChem CID 143227246) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene.

Molecular Properties

Compound Name(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene
PubChem CID143227246
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene
SMILESC=CC/C=C1C(=C/C(C)C=C)\c2ccc(C)cc2C\1(C)C
InChIInChI=1S/C21H26/c1-7-9-10-19-18(13-15(3)8-2)17-12-11-16(4)14-20(17)21(19,5)6/h7-8,10-15H,1-2,9H2,3-6H3/b18-13-,19-10+
InChIKeyZBZHKHBEFCUWRM-DZPGJBBUSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane
CID 143227245
2,7,9,9-tetramethylfluorene
CID 22951928
2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene
CID 123535187
2,6,9,9-tetramethylfluorene
CID 23527438
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
(4-methylphenyl)-diphenyl-[4-[4-[2-[4-[4-[2-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]phenyl]silane
CID 59061597
1,1,6-trimethyl-2,3-dimethylideneindene
CID 145331674
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
CID 20593657
ethane;9-fluoro-2,7,9-trimethylfluorene
CID 142891538
3,6-dimethylfluoren-9-one;methane;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 163766045
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene?
The IUPAC name of (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene (CID 143227246) is (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene.
What is the SMILES notation for (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene?
The canonical SMILES for (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene is C=CC/C=C1C(=C/C(C)C=C)\c2ccc(C)cc2C\1(C)C.
What is the InChIKey of (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene?
The InChIKey is ZBZHKHBEFCUWRM-DZPGJBBUSA-N. The full InChI is InChI=1S/C21H26/c1-7-9-10-19-18(13-15(3)8-2)17-12-11-16(4)14-20(17)21(19,5)6/h7-8,10-15H,1-2,9H2,3-6H3/b18-13-,19-10+.
What are the key properties of (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene?
(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene has a molecular weight of 278.44 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene is sourced from PubChem (CID 143227246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).