[(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene

C22H24 — CID 101011703

IUPAC[(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene
SMILESCC(C)(C#C/C=C\C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24/c1-21(2,19-13-7-5-8-14-19)17-11-12-18-22(3,4)20-15-9-6-10-16-20/h5-11,13-17H,1-4H3/b17-11-
InChIKeyXKZFEMPHUXZDFM-BOPFTXTBSA-N
MW288.43 g/mol
LogP5.50
Rot. Bonds3

About [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene

[(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene (PubChem CID 101011703) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene
PubChem CID101011703
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name[(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene
SMILESCC(C)(C#C/C=C\C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24/c1-21(2,19-13-7-5-8-14-19)17-11-12-18-22(3,4)20-15-9-6-10-16-20/h5-11,13-17H,1-4H3/b17-11-
InChIKeyXKZFEMPHUXZDFM-BOPFTXTBSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-methylpent-3-en-2-yl]benzene
CID 154027835
ethane;2,5,5-trimethylhex-3-yn-2-ylbenzene
CID 143798052
trimethyl-(3-methyl-3-phenylbut-1-ynyl)silane
CID 68608831
1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
CID 54473536
N-ethenyl-2-methyl-2-phenylpropan-1-imine
CID 138613218
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
CID 166095951
dimethyl-(4-methyl-4-phenylpent-2-ynyl)-phenylsilane
CID 166442271
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
(4-methyl-4-phenylpent-1-en-3-yl)hydrazine
CID 105216296
6-(benzenesulfonyl)-2-methylhex-5-en-3-yn-2-ol
CID 4577593

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene?
The IUPAC name of [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene (CID 101011703) is [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene.
What is the SMILES notation for [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene?
The canonical SMILES for [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene is CC(C)(C#C/C=C\C(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene?
The InChIKey is XKZFEMPHUXZDFM-BOPFTXTBSA-N. The full InChI is InChI=1S/C22H24/c1-21(2,19-13-7-5-8-14-19)17-11-12-18-22(3,4)20-15-9-6-10-16-20/h5-11,13-17H,1-4H3/b17-11-.
What are the key properties of [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene?
[(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene has a molecular weight of 288.43 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene is sourced from PubChem (CID 101011703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).