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

C23H32 — CID 143227245

IUPAC(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane
SMILESC=CC/C=C1C(=C/C(C)C=C)\c2ccc(C)cc2C\1(C)C.CC
InChIInChI=1S/C21H26.C2H6/c1-7-9-10-19-18(13-15(3)8-2)17-12-11-16(4)14-20(17)21(19,5)6;1-2/h7-8,10-15H,1-2,9H2,3-6H3;1-2H3/b18-13-,19-10+;
InChIKeyFIOBSHCLFXYIBW-WLVVZSMJSA-N
MW308.51 g/mol
LogP7.02
Rot. Bonds4

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

(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane (PubChem CID 143227245) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane.

Molecular Properties

Compound Name(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane
PubChem CID143227245
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane
SMILESC=CC/C=C1C(=C/C(C)C=C)\c2ccc(C)cc2C\1(C)C.CC
InChIInChI=1S/C21H26.C2H6/c1-7-9-10-19-18(13-15(3)8-2)17-12-11-16(4)14-20(17)21(19,5)6;1-2/h7-8,10-15H,1-2,9H2,3-6H3;1-2H3/b18-13-,19-10+;
InChIKeyFIOBSHCLFXYIBW-WLVVZSMJSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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;ethane?
The IUPAC name of (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane (CID 143227245) is (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane.
What is the SMILES notation for (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane?
The canonical SMILES for (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane is C=CC/C=C1C(=C/C(C)C=C)\c2ccc(C)cc2C\1(C)C.CC.
What is the InChIKey of (2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane?
The InChIKey is FIOBSHCLFXYIBW-WLVVZSMJSA-N. The full InChI is InChI=1S/C21H26.C2H6/c1-7-9-10-19-18(13-15(3)8-2)17-12-11-16(4)14-20(17)21(19,5)6;1-2/h7-8,10-15H,1-2,9H2,3-6H3;1-2H3/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;ethane?
(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane has a molecular weight of 308.51 g/mol, XLogP of 7.02, 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;ethane is sourced from PubChem (CID 143227245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).