hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane

C15H30O5Si — CID 142708425

IUPAChydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane
SMILESCCC[Si](O)(CCCOCC1CO1)CCCOCC1CO1
InChIInChI=1S/C15H30O5Si/c1-2-7-21(16,8-3-5-17-10-14-12-19-14)9-4-6-18-11-15-13-20-15/h14-16H,2-13H2,1H3
InChIKeyXHLNFBGKHGGCCH-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.95
Rot. Bonds14

About hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane

hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane (PubChem CID 142708425) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane.

Molecular Properties

Compound Namehydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane
PubChem CID142708425
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namehydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane
SMILESCCC[Si](O)(CCCOCC1CO1)CCCOCC1CO1
InChIInChI=1S/C15H30O5Si/c1-2-7-21(16,8-3-5-17-10-14-12-19-14)9-4-6-18-11-15-13-20-15/h14-16H,2-13H2,1H3
InChIKeyXHLNFBGKHGGCCH-UHFFFAOYSA-N
XLogP1.95
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 142708399
hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane
CID 142708381
dihydroxy-[2-(oxiran-2-ylmethoxy)ethyl]-propylsilane
CID 142708401
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
diethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139945217
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

Frequently Asked Questions

What is the IUPAC name of hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane?
The IUPAC name of hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane (CID 142708425) is hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane.
What is the SMILES notation for hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane?
The canonical SMILES for hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane is CCC[Si](O)(CCCOCC1CO1)CCCOCC1CO1.
What is the InChIKey of hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane?
The InChIKey is XHLNFBGKHGGCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-2-7-21(16,8-3-5-17-10-14-12-19-14)9-4-6-18-11-15-13-20-15/h14-16H,2-13H2,1H3.
What are the key properties of hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane?
hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane has a molecular weight of 318.49 g/mol, XLogP of 1.95, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane is sourced from PubChem (CID 142708425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).