CID 53438226

C21H43O3Si — CID 53438226

IUPAC—
SMILESCOC(CCCCCCCCCCCCCCCCC[Si])(OC)OC
InChIInChI=1S/C21H43O3Si/c1-22-21(23-2,24-3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-25/h4-20H2,1-3H3
InChIKeyYWIDVRZOKRXCGF-UHFFFAOYSA-N
MW371.66 g/mol
LogP6.41
Rot. Bonds20

About CID 53438226

CID 53438226 (PubChem CID 53438226) has the molecular formula C21H43O3Si and a molecular weight of 371.66 g/mol.

Molecular Properties

Compound NameCID 53438226
PubChem CID53438226
Molecular FormulaC21H43O3Si
Molecular Weight371.66 g/mol
Exact Mass371.30
IUPAC Name—
SMILESCOC(CCCCCCCCCCCCCCCCC[Si])(OC)OC
InChIInChI=1S/C21H43O3Si/c1-22-21(23-2,24-3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-25/h4-20H2,1-3H3
InChIKeyYWIDVRZOKRXCGF-UHFFFAOYSA-N
XLogP6.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.66
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1,1,1-trimethoxytridecane
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CID 156790678
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1,1,1,29,29,29-hexamethoxy-14,16-bis(13,13,13-trimethoxytridecyl)nonacosane-14,16-diamine
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1,1,1-trimethoxy-12-(12,12,12-trimethoxydodecyltetrasulfanyl)dodecane
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1,3-bis(13,13,13-trimethoxytridecyl)-1,3-diazinane
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Frequently Asked Questions

What is the IUPAC name of CID 53438226?
The IUPAC name of CID 53438226 (CID 53438226) is not available.
What is the SMILES notation for CID 53438226?
The canonical SMILES for CID 53438226 is COC(CCCCCCCCCCCCCCCCC[Si])(OC)OC.
What is the InChIKey of CID 53438226?
The InChIKey is YWIDVRZOKRXCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43O3Si/c1-22-21(23-2,24-3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-25/h4-20H2,1-3H3.
What are the key properties of CID 53438226?
CID 53438226 has a molecular weight of 371.66 g/mol, XLogP of 6.41, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53438226 is sourced from PubChem (CID 53438226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).