(2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene

C28H30 — CID 58674050

IUPAC(2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene
SMILESC=C(CC)C1=C(C)C=C2C/C(=C\C3=CC=CC3)C(=C)C2C1c1ccccc1C
InChIInChI=1S/C28H30/c1-6-18(2)26-20(4)15-24-17-23(16-22-12-8-9-13-22)21(5)27(24)28(26)25-14-10-7-11-19(25)3/h7-12,14-16,27-28H,2,5-6,13,17H2,1,3-4H3/b23-16+
InChIKeyUTZOISXUEYGONO-XQNSMLJCSA-N
MW366.55 g/mol
LogP7.69
Rot. Bonds4

About (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene

(2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene (PubChem CID 58674050) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene.

Molecular Properties

Compound Name(2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene
PubChem CID58674050
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name(2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene
SMILESC=C(CC)C1=C(C)C=C2C/C(=C\C3=CC=CC3)C(=C)C2C1c1ccccc1C
InChIInChI=1S/C28H30/c1-6-18(2)26-20(4)15-24-17-23(16-22-12-8-9-13-22)21(5)27(24)28(26)25-14-10-7-11-19(25)3/h7-12,14-16,27-28H,2,5-6,13,17H2,1,3-4H3/b23-16+
InChIKeyUTZOISXUEYGONO-XQNSMLJCSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene
CID 58673933
(2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene
CID 58674153
(2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene
CID 58673772
(2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene
CID 58673500
(2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene
CID 58673869
(1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol
CID 10986775
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one
CID 21018065
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
CID 18402444
4,4a-dihydro-1H-fluoren-4-ylmethanol
CID 174985720
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene;zirconium(2+);dichloride
CID 18402443
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716

Frequently Asked Questions

What is the IUPAC name of (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene?
The IUPAC name of (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene (CID 58674050) is (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene.
What is the SMILES notation for (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene?
The canonical SMILES for (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene is C=C(CC)C1=C(C)C=C2C/C(=C\C3=CC=CC3)C(=C)C2C1c1ccccc1C.
What is the InChIKey of (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene?
The InChIKey is UTZOISXUEYGONO-XQNSMLJCSA-N. The full InChI is InChI=1S/C28H30/c1-6-18(2)26-20(4)15-24-17-23(16-22-12-8-9-13-22)21(5)27(24)28(26)25-14-10-7-11-19(25)3/h7-12,14-16,27-28H,2,5-6,13,17H2,1,3-4H3/b23-16+.
What are the key properties of (2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene?
(2E)-5-but-1-en-2-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene has a molecular weight of 366.55 g/mol, XLogP of 7.69, 4 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-2-(cyclopenta-1,3-dien-1-ylmethylidene)-6-methyl-3-methylidene-4-(2-methylphenyl)-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58674050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).