CID 156681244

C20H36Cl2O2Si — CID 156681244

IUPAC—
SMILESC=CC(=O)OCCCCCCCCCCCCCCCC[Si]C(Cl)Cl
InChIInChI=1S/C20H36Cl2O2Si/c1-2-19(23)24-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-25-20(21)22/h2,20H,1,3-18H2
InChIKeyBRFDICGELFUTIO-UHFFFAOYSA-N
MW407.50 g/mol
LogP7.06
Rot. Bonds19

About CID 156681244

CID 156681244 (PubChem CID 156681244) has the molecular formula C20H36Cl2O2Si and a molecular weight of 407.50 g/mol.

Molecular Properties

Compound NameCID 156681244
PubChem CID156681244
Molecular FormulaC20H36Cl2O2Si
Molecular Weight407.50 g/mol
Exact Mass406.19
IUPAC Name—
SMILESC=CC(=O)OCCCCCCCCCCCCCCCC[Si]C(Cl)Cl
InChIInChI=1S/C20H36Cl2O2Si/c1-2-19(23)24-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-25-20(21)22/h2,20H,1,3-18H2
InChIKeyBRFDICGELFUTIO-UHFFFAOYSA-N
XLogP7.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
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'}

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Related Compounds

CID 156681524
CID 156681524
CID 156681384
CID 156681384
CID 156681365
CID 156681365
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 168864161
CID 168864161
CID 168864103
CID 168864103
14-(dichloromethylsilyl)tetradecyl prop-2-enoate
CID 172698392
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

Frequently Asked Questions

What is the IUPAC name of CID 156681244?
The IUPAC name of CID 156681244 (CID 156681244) is not available.
What is the SMILES notation for CID 156681244?
The canonical SMILES for CID 156681244 is C=CC(=O)OCCCCCCCCCCCCCCCC[Si]C(Cl)Cl.
What is the InChIKey of CID 156681244?
The InChIKey is BRFDICGELFUTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Cl2O2Si/c1-2-19(23)24-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-25-20(21)22/h2,20H,1,3-18H2.
What are the key properties of CID 156681244?
CID 156681244 has a molecular weight of 407.50 g/mol, XLogP of 7.06, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156681244 is sourced from PubChem (CID 156681244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).