CID 170946192

C25H51O6Si — CID 170946192

IUPAC—
SMILESCCCCCCCCCC(OCC)C(OCC)(OCC)C(OCC)(OCC)C(=O)[Si](C)C
InChIInChI=1S/C25H51O6Si/c1-9-15-16-17-18-19-20-21-22(27-10-2)24(28-11-3,29-12-4)25(30-13-5,31-14-6)23(26)32(7)8/h22H,9-21H2,1-8H3
InChIKeyAFCFIDOFRQPRTI-UHFFFAOYSA-N
MW475.76 g/mol
LogP5.93
Rot. Bonds22

About CID 170946192

CID 170946192 (PubChem CID 170946192) has the molecular formula C25H51O6Si and a molecular weight of 475.76 g/mol.

Molecular Properties

Compound NameCID 170946192
PubChem CID170946192
Molecular FormulaC25H51O6Si
Molecular Weight475.76 g/mol
Exact Mass475.35
IUPAC Name—
SMILESCCCCCCCCCC(OCC)C(OCC)(OCC)C(OCC)(OCC)C(=O)[Si](C)C
InChIInChI=1S/C25H51O6Si/c1-9-15-16-17-18-19-20-21-22(27-10-2)24(28-11-3,29-12-4)25(30-13-5,31-14-6)23(26)32(7)8/h22H,9-21H2,1-8H3
InChIKeyAFCFIDOFRQPRTI-UHFFFAOYSA-N
XLogP5.93
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of CID 170946192?
The IUPAC name of CID 170946192 (CID 170946192) is not available.
What is the SMILES notation for CID 170946192?
The canonical SMILES for CID 170946192 is CCCCCCCCCC(OCC)C(OCC)(OCC)C(OCC)(OCC)C(=O)[Si](C)C.
What is the InChIKey of CID 170946192?
The InChIKey is AFCFIDOFRQPRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51O6Si/c1-9-15-16-17-18-19-20-21-22(27-10-2)24(28-11-3,29-12-4)25(30-13-5,31-14-6)23(26)32(7)8/h22H,9-21H2,1-8H3.
What are the key properties of CID 170946192?
CID 170946192 has a molecular weight of 475.76 g/mol, XLogP of 5.93, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170946192 is sourced from PubChem (CID 170946192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).