heptacosoxy(trimethyl)silane

C30H64OSi — CID 529831

IUPACheptacosoxy(trimethyl)silane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C30H64OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2,3)4/h5-30H2,1-4H3
InChIKeyJVIGADMHPGHXTI-UHFFFAOYSA-N
MW468.93 g/mol
LogP11.61
Rot. Bonds27

About heptacosoxy(trimethyl)silane

heptacosoxy(trimethyl)silane (PubChem CID 529831) has the molecular formula C30H64OSi and a molecular weight of 468.93 g/mol. Its IUPAC name is heptacosoxy(trimethyl)silane.

Molecular Properties

Compound Nameheptacosoxy(trimethyl)silane
PubChem CID529831
Molecular FormulaC30H64OSi
Molecular Weight468.93 g/mol
Exact Mass468.47
IUPAC Nameheptacosoxy(trimethyl)silane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C30H64OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2,3)4/h5-30H2,1-4H3
InChIKeyJVIGADMHPGHXTI-UHFFFAOYSA-N
XLogP11.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.93
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptacosoxy(trimethyl)silane?
The IUPAC name of heptacosoxy(trimethyl)silane (CID 529831) is heptacosoxy(trimethyl)silane.
What is the SMILES notation for heptacosoxy(trimethyl)silane?
The canonical SMILES for heptacosoxy(trimethyl)silane is CCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C.
What is the InChIKey of heptacosoxy(trimethyl)silane?
The InChIKey is JVIGADMHPGHXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2,3)4/h5-30H2,1-4H3.
What are the key properties of heptacosoxy(trimethyl)silane?
heptacosoxy(trimethyl)silane has a molecular weight of 468.93 g/mol, XLogP of 11.61, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptacosoxy(trimethyl)silane is sourced from PubChem (CID 529831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).