CID 171535385

C32H59O3Si — CID 171535385

IUPAC—
SMILESCCCCCCC=COC(CCCCCCC[Si])(OC=CCCCCCC)OC=CCCCCCC
InChIInChI=1S/C32H59O3Si/c1-4-7-10-13-18-23-28-33-32(27-22-17-16-21-26-31-36,34-29-24-19-14-11-8-5-2)35-30-25-20-15-12-9-6-3/h23-25,28-30H,4-22,26-27,31H2,1-3H3
InChIKeyVBOVOSYHXVPORS-UHFFFAOYSA-N
MW519.91 g/mol
LogP11.07
Rot. Bonds28

About CID 171535385

CID 171535385 (PubChem CID 171535385) has the molecular formula C32H59O3Si and a molecular weight of 519.91 g/mol.

Molecular Properties

Compound NameCID 171535385
PubChem CID171535385
Molecular FormulaC32H59O3Si
Molecular Weight519.91 g/mol
Exact Mass519.42
IUPAC Name—
SMILESCCCCCCC=COC(CCCCCCC[Si])(OC=CCCCCCC)OC=CCCCCCC
InChIInChI=1S/C32H59O3Si/c1-4-7-10-13-18-23-28-33-32(27-22-17-16-21-26-31-36,34-29-24-19-14-11-8-5-2)35-30-25-20-15-12-9-6-3/h23-25,28-30H,4-22,26-27,31H2,1-3H3
InChIKeyVBOVOSYHXVPORS-UHFFFAOYSA-N
XLogP11.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.91
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of CID 171535385?
The IUPAC name of CID 171535385 (CID 171535385) is not available.
What is the SMILES notation for CID 171535385?
The canonical SMILES for CID 171535385 is CCCCCCC=COC(CCCCCCC[Si])(OC=CCCCCCC)OC=CCCCCCC.
What is the InChIKey of CID 171535385?
The InChIKey is VBOVOSYHXVPORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59O3Si/c1-4-7-10-13-18-23-28-33-32(27-22-17-16-21-26-31-36,34-29-24-19-14-11-8-5-2)35-30-25-20-15-12-9-6-3/h23-25,28-30H,4-22,26-27,31H2,1-3H3.
What are the key properties of CID 171535385?
CID 171535385 has a molecular weight of 519.91 g/mol, XLogP of 11.07, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171535385 is sourced from PubChem (CID 171535385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).