octadecyl(oxan-2-yl)silane

C23H48OSi — CID 123396124

IUPACoctadecyl(oxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCC[SiH2]C1CCCCO1
InChIInChI=1S/C23H48OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24-23/h23H,2-22,25H2,1H3
InChIKeyNZUAPKDGGOUAHL-UHFFFAOYSA-N
MW368.72 g/mol
LogP7.36
Rot. Bonds18

About octadecyl(oxan-2-yl)silane

octadecyl(oxan-2-yl)silane (PubChem CID 123396124) has the molecular formula C23H48OSi and a molecular weight of 368.72 g/mol. Its IUPAC name is octadecyl(oxan-2-yl)silane.

Molecular Properties

Compound Nameoctadecyl(oxan-2-yl)silane
PubChem CID123396124
Molecular FormulaC23H48OSi
Molecular Weight368.72 g/mol
Exact Mass368.35
IUPAC Nameoctadecyl(oxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCC[SiH2]C1CCCCO1
InChIInChI=1S/C23H48OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24-23/h23H,2-22,25H2,1H3
InChIKeyNZUAPKDGGOUAHL-UHFFFAOYSA-N
XLogP7.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 57.36
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 octadecyl(oxan-2-yl)silane?
The IUPAC name of octadecyl(oxan-2-yl)silane (CID 123396124) is octadecyl(oxan-2-yl)silane.
What is the SMILES notation for octadecyl(oxan-2-yl)silane?
The canonical SMILES for octadecyl(oxan-2-yl)silane is CCCCCCCCCCCCCCCCCC[SiH2]C1CCCCO1.
What is the InChIKey of octadecyl(oxan-2-yl)silane?
The InChIKey is NZUAPKDGGOUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24-23/h23H,2-22,25H2,1H3.
What are the key properties of octadecyl(oxan-2-yl)silane?
octadecyl(oxan-2-yl)silane has a molecular weight of 368.72 g/mol, XLogP of 7.36, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl(oxan-2-yl)silane is sourced from PubChem (CID 123396124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).