CID 168864235

C16H28Br2O2Si — CID 168864235

IUPAC—
SMILESC=CC(=O)OC(C)CCCCCCCCCC[Si]C(Br)Br
InChIInChI=1S/C16H28Br2O2Si/c1-3-15(19)20-14(2)12-10-8-6-4-5-7-9-11-13-21-16(17)18/h3,14,16H,1,4-13H2,2H3
InChIKeyQJNPHLGQKRRDNB-UHFFFAOYSA-N
MW440.29 g/mol
LogP5.81
Rot. Bonds14

About CID 168864235

CID 168864235 (PubChem CID 168864235) has the molecular formula C16H28Br2O2Si and a molecular weight of 440.29 g/mol.

Molecular Properties

Compound NameCID 168864235
PubChem CID168864235
Molecular FormulaC16H28Br2O2Si
Molecular Weight440.29 g/mol
Exact Mass438.02
IUPAC Name—
SMILESC=CC(=O)OC(C)CCCCCCCCCC[Si]C(Br)Br
InChIInChI=1S/C16H28Br2O2Si/c1-3-15(19)20-14(2)12-10-8-6-4-5-7-9-11-13-21-16(17)18/h3,14,16H,1,4-13H2,2H3
InChIKeyQJNPHLGQKRRDNB-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.29
LogP ≤ 55.81
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 168864112
CID 168864112
CID 168864161
CID 168864161
CID 168864103
CID 168864103
CID 168864126
CID 168864126
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 156681524
CID 156681524
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
5-methylhexan-2-yl prop-2-enoate
CID 151222941
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209

Frequently Asked Questions

What is the IUPAC name of CID 168864235?
The IUPAC name of CID 168864235 (CID 168864235) is not available.
What is the SMILES notation for CID 168864235?
The canonical SMILES for CID 168864235 is C=CC(=O)OC(C)CCCCCCCCCC[Si]C(Br)Br.
What is the InChIKey of CID 168864235?
The InChIKey is QJNPHLGQKRRDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Br2O2Si/c1-3-15(19)20-14(2)12-10-8-6-4-5-7-9-11-13-21-16(17)18/h3,14,16H,1,4-13H2,2H3.
What are the key properties of CID 168864235?
CID 168864235 has a molecular weight of 440.29 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168864235 is sourced from PubChem (CID 168864235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).