CID 168864126

C14H24I2O2Si — CID 168864126

IUPAC—
SMILESC=CC(=O)OC(C)CCCCCCCC[Si]C(I)I
InChIInChI=1S/C14H24I2O2Si/c1-3-13(17)18-12(2)10-8-6-4-5-7-9-11-19-14(15)16/h3,12,14H,1,4-11H2,2H3
InChIKeyFHMXRQPARKJMEF-UHFFFAOYSA-N
MW506.24 g/mol
LogP5.11
Rot. Bonds12

About CID 168864126

CID 168864126 (PubChem CID 168864126) has the molecular formula C14H24I2O2Si and a molecular weight of 506.24 g/mol.

Molecular Properties

Compound NameCID 168864126
PubChem CID168864126
Molecular FormulaC14H24I2O2Si
Molecular Weight506.24 g/mol
Exact Mass505.96
IUPAC Name—
SMILESC=CC(=O)OC(C)CCCCCCCC[Si]C(I)I
InChIInChI=1S/C14H24I2O2Si/c1-3-13(17)18-12(2)10-8-6-4-5-7-9-11-19-14(15)16/h3,12,14H,1,4-11H2,2H3
InChIKeyFHMXRQPARKJMEF-UHFFFAOYSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.24
LogP ≤ 55.11
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 168864112
CID 168864112
CID 168864235
CID 168864235
CID 168864161
CID 168864161
CID 168864103
CID 168864103
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
CID 156681365
CID 156681365
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
5-methylhexan-2-yl prop-2-enoate
CID 151222941

Frequently Asked Questions

What is the IUPAC name of CID 168864126?
The IUPAC name of CID 168864126 (CID 168864126) is not available.
What is the SMILES notation for CID 168864126?
The canonical SMILES for CID 168864126 is C=CC(=O)OC(C)CCCCCCCC[Si]C(I)I.
What is the InChIKey of CID 168864126?
The InChIKey is FHMXRQPARKJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24I2O2Si/c1-3-13(17)18-12(2)10-8-6-4-5-7-9-11-19-14(15)16/h3,12,14H,1,4-11H2,2H3.
What are the key properties of CID 168864126?
CID 168864126 has a molecular weight of 506.24 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168864126 is sourced from PubChem (CID 168864126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).