CID 67880858

C11H10Cl2NO3Si — CID 67880858

IUPAC—
SMILESO=C(Nc1cccc(Cl)c1)OCC#CCCl.O[Si]
InChIInChI=1S/C11H9Cl2NO2.HOSi/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10;1-2/h3-5,8H,6-7H2,(H,14,15);1H
InChIKeyVPIUGHAFQUQHKJ-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.19
Rot. Bonds2

About CID 67880858

CID 67880858 (PubChem CID 67880858) has the molecular formula C11H10Cl2NO3Si and a molecular weight of 303.20 g/mol.

Molecular Properties

Compound NameCID 67880858
PubChem CID67880858
Molecular FormulaC11H10Cl2NO3Si
Molecular Weight303.20 g/mol
Exact Mass301.98
IUPAC Name—
SMILESO=C(Nc1cccc(Cl)c1)OCC#CCCl.O[Si]
InChIInChI=1S/C11H9Cl2NO2.HOSi/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10;1-2/h3-5,8H,6-7H2,(H,14,15);1H
InChIKeyVPIUGHAFQUQHKJ-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
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3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
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4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate;2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
CID 67576285
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
methyl N-(3-chlorophenyl)carbamate
CID 16529
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192

Frequently Asked Questions

What is the IUPAC name of CID 67880858?
The IUPAC name of CID 67880858 (CID 67880858) is not available.
What is the SMILES notation for CID 67880858?
The canonical SMILES for CID 67880858 is O=C(Nc1cccc(Cl)c1)OCC#CCCl.O[Si].
What is the InChIKey of CID 67880858?
The InChIKey is VPIUGHAFQUQHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2.HOSi/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10;1-2/h3-5,8H,6-7H2,(H,14,15);1H.
What are the key properties of CID 67880858?
CID 67880858 has a molecular weight of 303.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67880858 is sourced from PubChem (CID 67880858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).