CID 87587512

C18H35OSi — CID 87587512

IUPAC—
SMILESCCCC/C1=C(\O[Si](C)C)CCCCCCCCCC1
InChIInChI=1S/C18H35OSi/c1-4-5-14-17-15-12-10-8-6-7-9-11-13-16-18(17)19-20(2)3/h4-16H2,1-3H3/b18-17+
InChIKeyLSANQTWJJPECEO-ISLYRVAYSA-N
MW295.56 g/mol
LogP6.61
Rot. Bonds5

About CID 87587512

CID 87587512 (PubChem CID 87587512) has the molecular formula C18H35OSi and a molecular weight of 295.56 g/mol.

Molecular Properties

Compound NameCID 87587512
PubChem CID87587512
Molecular FormulaC18H35OSi
Molecular Weight295.56 g/mol
Exact Mass295.25
IUPAC Name—
SMILESCCCC/C1=C(\O[Si](C)C)CCCCCCCCCC1
InChIInChI=1S/C18H35OSi/c1-4-5-14-17-15-12-10-8-6-7-9-11-13-16-18(17)19-20(2)3/h4-16H2,1-3H3/b18-17+
InChIKeyLSANQTWJJPECEO-ISLYRVAYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87587512?
The IUPAC name of CID 87587512 (CID 87587512) is not available.
What is the SMILES notation for CID 87587512?
The canonical SMILES for CID 87587512 is CCCC/C1=C(\O[Si](C)C)CCCCCCCCCC1.
What is the InChIKey of CID 87587512?
The InChIKey is LSANQTWJJPECEO-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H35OSi/c1-4-5-14-17-15-12-10-8-6-7-9-11-13-16-18(17)19-20(2)3/h4-16H2,1-3H3/b18-17+.
What are the key properties of CID 87587512?
CID 87587512 has a molecular weight of 295.56 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87587512 is sourced from PubChem (CID 87587512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).