butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C10H22O4Si — CID 142708399

IUPACbutyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCC[Si](O)(O)CCCOCC1CO1
InChIInChI=1S/C10H22O4Si/c1-2-3-6-15(11,12)7-4-5-13-8-10-9-14-10/h10-12H,2-9H2,1H3
InChIKeyQATPAHWBUWQAAX-UHFFFAOYSA-N
MW234.37 g/mol
LogP1.02
Rot. Bonds9

About butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane

butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 142708399) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namebutyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID142708399
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Namebutyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCC[Si](O)(O)CCCOCC1CO1
InChIInChI=1S/C10H22O4Si/c1-2-3-6-15(11,12)7-4-5-13-8-10-9-14-10/h10-12H,2-9H2,1H3
InChIKeyQATPAHWBUWQAAX-UHFFFAOYSA-N
XLogP1.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane
CID 142708425
dihydroxy-[2-(oxiran-2-ylmethoxy)ethyl]-propylsilane
CID 142708401
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
diethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139945217
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488

Frequently Asked Questions

What is the IUPAC name of butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 142708399) is butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane is CCCC[Si](O)(O)CCCOCC1CO1.
What is the InChIKey of butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is QATPAHWBUWQAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-2-3-6-15(11,12)7-4-5-13-8-10-9-14-10/h10-12H,2-9H2,1H3.
What are the key properties of butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 234.37 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 142708399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).