(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene

C22H28 — CID 139239654

IUPAC(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
SMILESC=CC(C)(C(CC)c1ccccc1)C(CC)c1ccccc1
InChIInChI=1S/C22H28/c1-5-20(18-14-10-8-11-15-18)22(4,7-3)21(6-2)19-16-12-9-13-17-19/h7-17,20-21H,3,5-6H2,1-2,4H3
InChIKeyCUNGZDDMOGUPKT-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.57
Rot. Bonds7

About (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene

(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene (PubChem CID 139239654) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene.

Molecular Properties

Compound Name(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
PubChem CID139239654
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
SMILESC=CC(C)(C(CC)c1ccccc1)C(CC)c1ccccc1
InChIInChI=1S/C22H28/c1-5-20(18-14-10-8-11-15-18)22(4,7-3)21(6-2)19-16-12-9-13-17-19/h7-17,20-21H,3,5-6H2,1-2,4H3
InChIKeyCUNGZDDMOGUPKT-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-2-phenylpent-4-en-1-ol
CID 165392453
1,1,2-triphenylbutylphosphane
CID 19027387
(2,2-dimethyl-1-phenylpentan-3-yl)benzene
CID 90849457
3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
CID 118649482
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
4,4,5,5,6,6,6-heptafluorohexan-3-ylbenzene
CID 174807736
[6-(dimethoxymethyl)-4,4,7,7-tetramethyloctan-3-yl]benzene
CID 163872715
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
CID 143199610
ethyl-dimethyl-(1-phenylprop-2-enyl)azanium
CID 22066560
8-(1-phenylpropyl)pentadecan-8-ol
CID 134906373
2,2-dimethyl-3-phenylheptanal
CID 174996144

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene?
The IUPAC name of (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene (CID 139239654) is (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene.
What is the SMILES notation for (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene?
The canonical SMILES for (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene is C=CC(C)(C(CC)c1ccccc1)C(CC)c1ccccc1.
What is the InChIKey of (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene?
The InChIKey is CUNGZDDMOGUPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-5-20(18-14-10-8-11-15-18)22(4,7-3)21(6-2)19-16-12-9-13-17-19/h7-17,20-21H,3,5-6H2,1-2,4H3.
What are the key properties of (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene?
(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene has a molecular weight of 292.47 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene is sourced from PubChem (CID 139239654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).