(2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene

C23H30 — CID 123486620

IUPAC(2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene
SMILESCC=C(C)C(C)(C)C(c1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C23H30/c1-7-19(4)22(5,6)23(18(2)3,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-18H,1-6H3
InChIKeyDDZKOUDFVBQWAY-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.62
Rot. Bonds5

About (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene

(2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene (PubChem CID 123486620) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene.

Molecular Properties

Compound Name(2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene
PubChem CID123486620
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name(2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene
SMILESCC=C(C)C(C)(C)C(c1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C23H30/c1-7-19(4)22(5,6)23(18(2)3,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-18H,1-6H3
InChIKeyDDZKOUDFVBQWAY-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.62
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

(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
CID 10583846
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
3-methyl-2-phenylpentan-2-ol
CID 13024634
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
(5,5-dimethyl-2,3,4-triphenyl-4-propan-2-ylheptan-3-yl)benzene
CID 57268598
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
3-(benzylideneamino)-3-methylbutan-2-ol
CID 130129023
potassium;sodium;2-phenyl-2-propan-2-ylpropanedioate
CID 139411731
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606

Frequently Asked Questions

What is the IUPAC name of (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene?
The IUPAC name of (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene (CID 123486620) is (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene.
What is the SMILES notation for (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene?
The canonical SMILES for (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene is CC=C(C)C(C)(C)C(c1ccccc1)(c1ccccc1)C(C)C.
What is the InChIKey of (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene?
The InChIKey is DDZKOUDFVBQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-7-19(4)22(5,6)23(18(2)3,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-18H,1-6H3.
What are the key properties of (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene?
(2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene has a molecular weight of 306.49 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene is sourced from PubChem (CID 123486620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).