CID 156681365

C21H38I2O2Si — CID 156681365

IUPAC—
SMILESC=CC(=O)OCCCCCCCCCCCCCCCCC[Si]C(I)I
InChIInChI=1S/C21H38I2O2Si/c1-2-20(24)25-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-26-21(22)23/h2,21H,1,3-19H2
InChIKeyKZWRMJNHZPYCMX-UHFFFAOYSA-N
MW604.43 g/mol
LogP7.84
Rot. Bonds20

About CID 156681365

CID 156681365 (PubChem CID 156681365) has the molecular formula C21H38I2O2Si and a molecular weight of 604.43 g/mol.

Molecular Properties

Compound NameCID 156681365
PubChem CID156681365
Molecular FormulaC21H38I2O2Si
Molecular Weight604.43 g/mol
Exact Mass604.07
IUPAC Name—
SMILESC=CC(=O)OCCCCCCCCCCCCCCCCC[Si]C(I)I
InChIInChI=1S/C21H38I2O2Si/c1-2-20(24)25-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-26-21(22)23/h2,21H,1,3-19H2
InChIKeyKZWRMJNHZPYCMX-UHFFFAOYSA-N
XLogP7.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.43
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 156681524
CID 156681524
CID 156681384
CID 156681384
CID 156681244
CID 156681244
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
CID 168864126
CID 168864126
CID 136825678
CID 136825678
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974

Frequently Asked Questions

What is the IUPAC name of CID 156681365?
The IUPAC name of CID 156681365 (CID 156681365) is not available.
What is the SMILES notation for CID 156681365?
The canonical SMILES for CID 156681365 is C=CC(=O)OCCCCCCCCCCCCCCCCC[Si]C(I)I.
What is the InChIKey of CID 156681365?
The InChIKey is KZWRMJNHZPYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38I2O2Si/c1-2-20(24)25-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-26-21(22)23/h2,21H,1,3-19H2.
What are the key properties of CID 156681365?
CID 156681365 has a molecular weight of 604.43 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 156681365 is sourced from PubChem (CID 156681365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).