CID 136849236

C22H45O2Si — CID 136849236

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCCCOC(C)O[Si]
InChIInChI=1S/C22H45O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(2)24-25/h22H,3-21H2,1-2H3
InChIKeyYTMLSRBIVOFAAR-UHFFFAOYSA-N
MW369.69 g/mol
LogP7.49
Rot. Bonds21

About CID 136849236

CID 136849236 (PubChem CID 136849236) has the molecular formula C22H45O2Si and a molecular weight of 369.69 g/mol.

Molecular Properties

Compound NameCID 136849236
PubChem CID136849236
Molecular FormulaC22H45O2Si
Molecular Weight369.69 g/mol
Exact Mass369.32
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCCCOC(C)O[Si]
InChIInChI=1S/C22H45O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(2)24-25/h22H,3-21H2,1-2H3
InChIKeyYTMLSRBIVOFAAR-UHFFFAOYSA-N
XLogP7.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

CID 136849214
CID 136849214
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CID 22559456
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CID 169098461
1-(1-fluoroethoxy)tridecane
CID 175410550
1-(difluoromethoxy)decane
CID 14400535
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-octan-2-yloxydecane
CID 86220707
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
1-nonan-2-yloxyoctadecane
CID 88815684
1-hexan-2-yloxydecane
CID 57029724
2-decoxyundecane
CID 151498473

Frequently Asked Questions

What is the IUPAC name of CID 136849236?
The IUPAC name of CID 136849236 (CID 136849236) is not available.
What is the SMILES notation for CID 136849236?
The canonical SMILES for CID 136849236 is CCCCCCCCCCCCCCCCCCCCOC(C)O[Si].
What is the InChIKey of CID 136849236?
The InChIKey is YTMLSRBIVOFAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(2)24-25/h22H,3-21H2,1-2H3.
What are the key properties of CID 136849236?
CID 136849236 has a molecular weight of 369.69 g/mol, XLogP of 7.49, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136849236 is sourced from PubChem (CID 136849236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).