7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene

C24H30 — CID 143223928

IUPAC7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene
SMILESC=C(/C=C/c1ccc(C(C)C)cc1)C1=CC=CC(C)(C(C)C)C=C1
InChIInChI=1S/C24H30/c1-18(2)22-13-11-21(12-14-22)10-9-20(5)23-8-7-16-24(6,17-15-23)19(3)4/h7-19H,5H2,1-4,6H3/b10-9+
InChIKeyGPDYMRAAHUMMHM-MDZDMXLPSA-N
MW318.50 g/mol
LogP7.09
Rot. Bonds5

About 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene

7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene (PubChem CID 143223928) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene
PubChem CID143223928
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene
SMILESC=C(/C=C/c1ccc(C(C)C)cc1)C1=CC=CC(C)(C(C)C)C=C1
InChIInChI=1S/C24H30/c1-18(2)22-13-11-21(12-14-22)10-9-20(5)23-8-7-16-24(6,17-15-23)19(3)4/h7-19H,5H2,1-4,6H3/b10-9+
InChIKeyGPDYMRAAHUMMHM-MDZDMXLPSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene with MolForge

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Related Compounds

1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene
CID 123714774
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
(E)-3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557389
(E)-1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 39440500
1-(6-methylhepta-1,3,5-trienyl)-4-propan-2-ylbenzene
CID 123372314
1-(benzenesulfonyl)-4-(4-propan-2-ylphenyl)but-3-en-2-one
CID 141101641
4-propan-2-ylbenzaldehyde
CID 326
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene?
The IUPAC name of 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene (CID 143223928) is 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene?
The canonical SMILES for 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene is C=C(/C=C/c1ccc(C(C)C)cc1)C1=CC=CC(C)(C(C)C)C=C1.
What is the InChIKey of 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene?
The InChIKey is GPDYMRAAHUMMHM-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H30/c1-18(2)22-13-11-21(12-14-22)10-9-20(5)23-8-7-16-24(6,17-15-23)19(3)4/h7-19H,5H2,1-4,6H3/b10-9+.
What are the key properties of 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene?
7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene has a molecular weight of 318.50 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-propan-2-yl-3-[(3E)-4-(4-propan-2-ylphenyl)buta-1,3-dien-2-yl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 143223928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).