butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane

C12H26O2Si — CID 87929298

IUPACbutyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCC[Si](C)(C)C(CC)OCC1CO1
InChIInChI=1S/C12H26O2Si/c1-5-7-8-15(3,4)12(6-2)14-10-11-9-13-11/h11-12H,5-10H2,1-4H3
InChIKeyRSHBXMNPHHSURF-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.23
Rot. Bonds8

About butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane

butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 87929298) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namebutyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID87929298
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namebutyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCC[Si](C)(C)C(CC)OCC1CO1
InChIInChI=1S/C12H26O2Si/c1-5-7-8-15(3,4)12(6-2)14-10-11-9-13-11/h11-12H,5-10H2,1-4H3
InChIKeyRSHBXMNPHHSURF-UHFFFAOYSA-N
XLogP3.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 174857617
butyl-(1-ethylsulfanyloxypropyl)-dimethylsilane
CID 90131516
diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane
CID 150689843
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
2-(1-bromoheptoxymethyl)oxirane
CID 88600331
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
CID 18963637
CID 18963637
2-(1-iodoethoxymethyl)oxirane
CID 89194519

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane (CID 87929298) is butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane is CCCC[Si](C)(C)C(CC)OCC1CO1.
What is the InChIKey of butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is RSHBXMNPHHSURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-7-8-15(3,4)12(6-2)14-10-11-9-13-11/h11-12H,5-10H2,1-4H3.
What are the key properties of butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane?
butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 230.42 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 87929298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).