CID 100966254

C10H19ClN2OSiZn- — CID 100966254

IUPAC—
SMILESCc1c[c]n(COCC[Si](C)(C)C)n1.[Cl-].[Zn]
InChIInChI=1S/C10H19N2OSi.ClH.Zn/c1-10-5-6-12(11-10)9-13-7-8-14(2,3)4;;/h5H,7-9H2,1-4H3;1H;/p-1
InChIKeyFQVMJPPRMVJLHN-UHFFFAOYSA-M
MW312.20 g/mol
LogP-0.69
Rot. Bonds5

About CID 100966254

CID 100966254 (PubChem CID 100966254) has the molecular formula C10H19ClN2OSiZn- and a molecular weight of 312.20 g/mol.

Molecular Properties

Compound NameCID 100966254
PubChem CID100966254
Molecular FormulaC10H19ClN2OSiZn-
Molecular Weight312.20 g/mol
Exact Mass310.03
IUPAC Name—
SMILESCc1c[c]n(COCC[Si](C)(C)C)n1.[Cl-].[Zn]
InChIInChI=1S/C10H19N2OSi.ClH.Zn/c1-10-5-6-12(11-10)9-13-7-8-14(2,3)4;;/h5H,7-9H2,1-4H3;1H;/p-1
InChIKeyFQVMJPPRMVJLHN-UHFFFAOYSA-M
XLogP-0.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
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CID 158558373
CID 158558373
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
CID 163671660
2-[[3-(Difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 172290204
Trimethyl-[2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 175735739
2-[[3-Bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911691
[3-(Difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide
CID 177101760
2-[[3-Bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[5-Trimethylsilyl-3-(trimethylsilylmethyl)pyrazol-1-yl]ethanol
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1-(1-Ethoxyethyl)-3-Fluoro-5-methyl-1H-pyrazole
CID 171315944
1-(isobutoxymethyl)-3,5-dimethyl-1H-pyrazole
CID 56688391

Frequently Asked Questions

What is the IUPAC name of CID 100966254?
The IUPAC name of CID 100966254 (CID 100966254) is not available.
What is the SMILES notation for CID 100966254?
The canonical SMILES for CID 100966254 is Cc1c[c]n(COCC[Si](C)(C)C)n1.[Cl-].[Zn].
What is the InChIKey of CID 100966254?
The InChIKey is FQVMJPPRMVJLHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N2OSi.ClH.Zn/c1-10-5-6-12(11-10)9-13-7-8-14(2,3)4;;/h5H,7-9H2,1-4H3;1H;/p-1.
What are the key properties of CID 100966254?
CID 100966254 has a molecular weight of 312.20 g/mol, XLogP of -0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100966254 is sourced from PubChem (CID 100966254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).