(3-heptadecyldioxiran-3-yl)oxysilane

C18H38O3Si — CID 173121350

IUPAC(3-heptadecyldioxiran-3-yl)oxysilane
SMILESCCCCCCCCCCCCCCCCCC1(O[SiH3])OO1
InChIInChI=1S/C18H38O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21-22)19-20-18/h2-17H2,1,22H3
InChIKeySGZOESSOOSUFED-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.16
Rot. Bonds17

About (3-heptadecyldioxiran-3-yl)oxysilane

(3-heptadecyldioxiran-3-yl)oxysilane (PubChem CID 173121350) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (3-heptadecyldioxiran-3-yl)oxysilane.

Molecular Properties

Compound Name(3-heptadecyldioxiran-3-yl)oxysilane
PubChem CID173121350
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(3-heptadecyldioxiran-3-yl)oxysilane
SMILESCCCCCCCCCCCCCCCCCC1(O[SiH3])OO1
InChIInChI=1S/C18H38O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21-22)19-20-18/h2-17H2,1,22H3
InChIKeySGZOESSOOSUFED-UHFFFAOYSA-N
XLogP5.16
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(3-pentyldioxiran-3-yl)oxyethanol
CID 88713180
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
decane;ruthenium
CID 160818595
3-ethyl-3-octyldioxirane
CID 89239410
(3-octyldioxiran-3-yl) 2,2-ditert-butylpentanoate
CID 141352062
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
3-hexyl-3,6,6,9,9-pentamethyl-1,2,4,5,7,8-hexaoxonane
CID 123140797
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of (3-heptadecyldioxiran-3-yl)oxysilane?
The IUPAC name of (3-heptadecyldioxiran-3-yl)oxysilane (CID 173121350) is (3-heptadecyldioxiran-3-yl)oxysilane.
What is the SMILES notation for (3-heptadecyldioxiran-3-yl)oxysilane?
The canonical SMILES for (3-heptadecyldioxiran-3-yl)oxysilane is CCCCCCCCCCCCCCCCCC1(O[SiH3])OO1.
What is the InChIKey of (3-heptadecyldioxiran-3-yl)oxysilane?
The InChIKey is SGZOESSOOSUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21-22)19-20-18/h2-17H2,1,22H3.
What are the key properties of (3-heptadecyldioxiran-3-yl)oxysilane?
(3-heptadecyldioxiran-3-yl)oxysilane has a molecular weight of 330.59 g/mol, XLogP of 5.16, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-heptadecyldioxiran-3-yl)oxysilane is sourced from PubChem (CID 173121350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).