1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene

C20H24 — CID 123940335

IUPAC1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene
SMILESC=C(C)CC(C)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24/c1-15(2)14-16(3)17(4)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17H,1,14H2,2-4H3
InChIKeyYVUAWMKTUZCNSP-UHFFFAOYSA-N
MW264.41 g/mol
LogP6.06
Rot. Bonds5

About 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene

1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene (PubChem CID 123940335) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene
PubChem CID123940335
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene
SMILESC=C(C)CC(C)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24/c1-15(2)14-16(3)17(4)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17H,1,14H2,2-4H3
InChIKeyYVUAWMKTUZCNSP-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.06
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

(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
CID 171214607
1-(3-bromobutan-2-yl)-4-phenylbenzene
CID 66469855
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
2-(4-phenylphenyl)pentan-3-amine
CID 79308070
3-methyl-4-(4-methylphenyl)pentanoic acid
CID 24973489
dimethyl-phenyl-[(4R)-4-(4-phenylphenyl)pent-1-en-2-yl]silane
CID 134955819
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
3-(4-phenylphenyl)butan-2-one
CID 66468835
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
(4R,5R)-2,7-dimethyl-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 101057436

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene?
The IUPAC name of 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene (CID 123940335) is 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene.
What is the SMILES notation for 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene?
The canonical SMILES for 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene is C=C(C)CC(C)C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene?
The InChIKey is YVUAWMKTUZCNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-15(2)14-16(3)17(4)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17H,1,14H2,2-4H3.
What are the key properties of 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene?
1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene has a molecular weight of 264.41 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylhex-5-en-2-yl)-4-phenylbenzene is sourced from PubChem (CID 123940335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).