(2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene

C35H40 — CID 58674109

IUPAC(2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
SMILESC=C(CC)C1=C(C)C=C2C/C(=C\C3c4ccccc4CC3C)C(=C)C2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C35H40/c1-8-22(4)33-24(6)18-30-19-29(20-32-23(5)17-28-11-9-10-12-31(28)32)25(7)34(30)35(33)27-15-13-26(14-16-27)21(2)3/h9-16,18,20-21,23,32,34-35H,4,7-8,17,19H2,1-3,5-6H3/b29-20+
InChIKeyLLUKNMQVRAOLFQ-ZTKZIYFRSA-N
MW460.71 g/mol
LogP9.59
Rot. Bonds5

About (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene

(2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene (PubChem CID 58674109) has the molecular formula C35H40 and a molecular weight of 460.71 g/mol. Its IUPAC name is (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene.

Molecular Properties

Compound Name(2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
PubChem CID58674109
Molecular FormulaC35H40
Molecular Weight460.71 g/mol
Exact Mass460.31
IUPAC Name(2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
SMILESC=C(CC)C1=C(C)C=C2C/C(=C\C3c4ccccc4CC3C)C(=C)C2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C35H40/c1-8-22(4)33-24(6)18-30-19-29(20-32-23(5)17-28-11-9-10-12-31(28)32)25(7)34(30)35(33)27-15-13-26(14-16-27)21(2)3/h9-16,18,20-21,23,32,34-35H,4,7-8,17,19H2,1-3,5-6H3/b29-20+
InChIKeyLLUKNMQVRAOLFQ-ZTKZIYFRSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
The IUPAC name of (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene (CID 58674109) is (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene.
What is the SMILES notation for (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
The canonical SMILES for (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene is C=C(CC)C1=C(C)C=C2C/C(=C\C3c4ccccc4CC3C)C(=C)C2C1c1ccc(C(C)C)cc1.
What is the InChIKey of (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
The InChIKey is LLUKNMQVRAOLFQ-ZTKZIYFRSA-N. The full InChI is InChI=1S/C35H40/c1-8-22(4)33-24(6)18-30-19-29(20-32-23(5)17-28-11-9-10-12-31(28)32)25(7)34(30)35(33)27-15-13-26(14-16-27)21(2)3/h9-16,18,20-21,23,32,34-35H,4,7-8,17,19H2,1-3,5-6H3/b29-20+.
What are the key properties of (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
(2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene has a molecular weight of 460.71 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-but-1-en-2-yl-6-methyl-2-[(2-methyl-2,3-dihydro-1H-inden-1-yl)methylidene]-3-methylidene-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58674109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).