CID 168864161

C22H40Cl2O2Si — CID 168864161

IUPAC—
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCC[Si]C(Cl)Cl
InChIInChI=1S/C22H40Cl2O2Si/c1-3-21(25)26-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-27-22(23)24/h3,20,22H,1,4-19H2,2H3
InChIKeyIRSDSHOWFLWZIJ-UHFFFAOYSA-N
MW435.55 g/mol
LogP7.84
Rot. Bonds20

About CID 168864161

CID 168864161 (PubChem CID 168864161) has the molecular formula C22H40Cl2O2Si and a molecular weight of 435.55 g/mol.

Molecular Properties

Compound NameCID 168864161
PubChem CID168864161
Molecular FormulaC22H40Cl2O2Si
Molecular Weight435.55 g/mol
Exact Mass434.22
IUPAC Name—
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCC[Si]C(Cl)Cl
InChIInChI=1S/C22H40Cl2O2Si/c1-3-21(25)26-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-27-22(23)24/h3,20,22H,1,4-19H2,2H3
InChIKeyIRSDSHOWFLWZIJ-UHFFFAOYSA-N
XLogP7.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 168864103
CID 168864103
CID 168864235
CID 168864235
CID 168864112
CID 168864112
CID 168864126
CID 168864126
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
CID 156681244
CID 156681244
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108

Frequently Asked Questions

What is the IUPAC name of CID 168864161?
The IUPAC name of CID 168864161 (CID 168864161) is not available.
What is the SMILES notation for CID 168864161?
The canonical SMILES for CID 168864161 is C=CC(=O)OC(C)CCCCCCCCCCCCCCCC[Si]C(Cl)Cl.
What is the InChIKey of CID 168864161?
The InChIKey is IRSDSHOWFLWZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40Cl2O2Si/c1-3-21(25)26-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-27-22(23)24/h3,20,22H,1,4-19H2,2H3.
What are the key properties of CID 168864161?
CID 168864161 has a molecular weight of 435.55 g/mol, XLogP of 7.84, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168864161 is sourced from PubChem (CID 168864161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).