zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene

C26H28OZn — CID 134880393

IUPACzinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene
SMILES[CH3-].[H]/[C-]=C\CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.[Zn+2]
InChIInChI=1S/C25H25O.CH3.Zn/c1-2-3-4-14-21-26-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;;/h1-2,5-13,15-20H,3-4,14,21H2;1H3;/q2*-1;+2
InChIKeyOPSFFFRTERXXDC-UHFFFAOYSA-N
MW421.90 g/mol
LogP6.60
Rot. Bonds9

About zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene

zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene (PubChem CID 134880393) has the molecular formula C26H28OZn and a molecular weight of 421.90 g/mol. Its IUPAC name is zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Namezinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene
PubChem CID134880393
Molecular FormulaC26H28OZn
Molecular Weight421.90 g/mol
Exact Mass420.14
IUPAC Namezinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene
SMILES[CH3-].[H]/[C-]=C\CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.[Zn+2]
InChIInChI=1S/C25H25O.CH3.Zn/c1-2-3-4-14-21-26-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;;/h1-2,5-13,15-20H,3-4,14,21H2;1H3;/q2*-1;+2
InChIKeyOPSFFFRTERXXDC-UHFFFAOYSA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.90
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

lithium [but-3-enoxy(diphenyl)methyl]benzene
CID 172817739
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
3-trityloxypropanal
CID 571223
(E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine
CID 177403744
5-(5-trityloxypentoxy)pentanoic acid
CID 122573368
(2S)-6-trityloxyhexane-1,2-diol
CID 100961940
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
methyl 5-trityloxypentanoate
CID 171841896
2-(6-trityloxyhexoxymethyl)but-2-en-1-ol
CID 70439044
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
(2S)-2-hydroxy-6-trityloxyhexanenitrile
CID 101359506

Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene?
The IUPAC name of zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene (CID 134880393) is zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene.
What is the SMILES notation for zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene?
The canonical SMILES for zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene is [CH3-].[H]/[C-]=C\CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.[Zn+2].
What is the InChIKey of zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene?
The InChIKey is OPSFFFRTERXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25O.CH3.Zn/c1-2-3-4-14-21-26-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;;/h1-2,5-13,15-20H,3-4,14,21H2;1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene?
zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene has a molecular weight of 421.90 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 134880393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).