4-phenyldec-1-en-5-yn-3-ylbenzene

C22H24 — CID 101447854

IUPAC4-phenyldec-1-en-5-yn-3-ylbenzene
SMILESC=CC(c1ccccc1)C(C#CCCCC)c1ccccc1
InChIInChI=1S/C22H24/c1-3-5-6-13-18-22(20-16-11-8-12-17-20)21(4-2)19-14-9-7-10-15-19/h4,7-12,14-17,21-22H,2-3,5-6H2,1H3
InChIKeyDXDWERKZQYBMIP-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.93
Rot. Bonds6

About 4-phenyldec-1-en-5-yn-3-ylbenzene

4-phenyldec-1-en-5-yn-3-ylbenzene (PubChem CID 101447854) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-phenyldec-1-en-5-yn-3-ylbenzene.

Molecular Properties

Compound Name4-phenyldec-1-en-5-yn-3-ylbenzene
PubChem CID101447854
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name4-phenyldec-1-en-5-yn-3-ylbenzene
SMILESC=CC(c1ccccc1)C(C#CCCCC)c1ccccc1
InChIInChI=1S/C22H24/c1-3-5-6-13-18-22(20-16-11-8-12-17-20)21(4-2)19-14-9-7-10-15-19/h4,7-12,14-17,21-22H,2-3,5-6H2,1H3
InChIKeyDXDWERKZQYBMIP-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butylsulfanylhept-2-ynylbenzene
CID 101226273
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
methyl [(1S)-1-phenylhept-2-ynyl] carbonate
CID 102499656
tributyl(1-phenylprop-2-enyl)azanium chloride
CID 22044442
N-(1-phenylhept-2-ynyl)benzenesulfonamide
CID 11522715
1-(1-phenylpentoxy)prop-2-enylbenzene
CID 173002800
4-propan-2-ylicosa-1,11-dien-3-ylbenzene
CID 91342384
(1S,2S)-N,N-dimethyl-1-phenyl-1-phenylsulfanyloct-3-yn-2-amine
CID 134959711
[(3R,4R)-4-nitrohept-1-en-3-yl]benzene
CID 71762240
2-(iodomethyl)oct-3-ynylbenzene
CID 10381704
1-bromohex-2-ynylbenzene
CID 164887667
tributyl(1-phenylprop-2-enyl)-λ4-sulfane
CID 69194174

Frequently Asked Questions

What is the IUPAC name of 4-phenyldec-1-en-5-yn-3-ylbenzene?
The IUPAC name of 4-phenyldec-1-en-5-yn-3-ylbenzene (CID 101447854) is 4-phenyldec-1-en-5-yn-3-ylbenzene.
What is the SMILES notation for 4-phenyldec-1-en-5-yn-3-ylbenzene?
The canonical SMILES for 4-phenyldec-1-en-5-yn-3-ylbenzene is C=CC(c1ccccc1)C(C#CCCCC)c1ccccc1.
What is the InChIKey of 4-phenyldec-1-en-5-yn-3-ylbenzene?
The InChIKey is DXDWERKZQYBMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-3-5-6-13-18-22(20-16-11-8-12-17-20)21(4-2)19-14-9-7-10-15-19/h4,7-12,14-17,21-22H,2-3,5-6H2,1H3.
What are the key properties of 4-phenyldec-1-en-5-yn-3-ylbenzene?
4-phenyldec-1-en-5-yn-3-ylbenzene has a molecular weight of 288.43 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldec-1-en-5-yn-3-ylbenzene is sourced from PubChem (CID 101447854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).