CID 168864103

C20H36Cl2O2Si — CID 168864103

IUPAC—
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCC[Si]C(Cl)Cl
InChIInChI=1S/C20H36Cl2O2Si/c1-3-19(23)24-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-20(21)22/h3,18,20H,1,4-17H2,2H3
InChIKeyYXSPDXTWXBQNEQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP7.06
Rot. Bonds18

About CID 168864103

CID 168864103 (PubChem CID 168864103) has the molecular formula C20H36Cl2O2Si and a molecular weight of 407.50 g/mol.

Molecular Properties

Compound NameCID 168864103
PubChem CID168864103
Molecular FormulaC20H36Cl2O2Si
Molecular Weight407.50 g/mol
Exact Mass406.19
IUPAC Name—
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCC[Si]C(Cl)Cl
InChIInChI=1S/C20H36Cl2O2Si/c1-3-19(23)24-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-20(21)22/h3,18,20H,1,4-17H2,2H3
InChIKeyYXSPDXTWXBQNEQ-UHFFFAOYSA-N
XLogP7.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 57.06
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'}

Analyze CID 168864103 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 168864161
CID 168864161
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 168864103?
The IUPAC name of CID 168864103 (CID 168864103) is not available.
What is the SMILES notation for CID 168864103?
The canonical SMILES for CID 168864103 is C=CC(=O)OC(C)CCCCCCCCCCCCCC[Si]C(Cl)Cl.
What is the InChIKey of CID 168864103?
The InChIKey is YXSPDXTWXBQNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Cl2O2Si/c1-3-19(23)24-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-20(21)22/h3,18,20H,1,4-17H2,2H3.
What are the key properties of CID 168864103?
CID 168864103 has a molecular weight of 407.50 g/mol, XLogP of 7.06, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168864103 is sourced from PubChem (CID 168864103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).