7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene

C20H24 — CID 145127334

IUPAC7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene
SMILESCC(C)CC1(C)C=CC=C(/C=C/c2ccccc2)C=C1
InChIInChI=1S/C20H24/c1-17(2)16-20(3)14-7-10-19(13-15-20)12-11-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3/b12-11+
InChIKeyWTFQPDMCAYGJJQ-VAWYXSNFSA-N
MW264.41 g/mol
LogP5.80
Rot. Bonds4

About 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene

7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene (PubChem CID 145127334) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene
PubChem CID145127334
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene
SMILESCC(C)CC1(C)C=CC=C(/C=C/c2ccccc2)C=C1
InChIInChI=1S/C20H24/c1-17(2)16-20(3)14-7-10-19(13-15-20)12-11-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3/b12-11+
InChIKeyWTFQPDMCAYGJJQ-VAWYXSNFSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
CID 174761842
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
CID 70567885
CID 70567885
CID 70569152
CID 70569152
7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 148559000
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 84662303
N,N-dimethylmethanamine;stilbene
CID 174368184
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine
CID 174421123

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene?
The IUPAC name of 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene (CID 145127334) is 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene?
The canonical SMILES for 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene is CC(C)CC1(C)C=CC=C(/C=C/c2ccccc2)C=C1.
What is the InChIKey of 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene?
The InChIKey is WTFQPDMCAYGJJQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H24/c1-17(2)16-20(3)14-7-10-19(13-15-20)12-11-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3/b12-11+.
What are the key properties of 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene?
7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene has a molecular weight of 264.41 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-(2-methylpropyl)-3-[(E)-2-phenylethenyl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 145127334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).