2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane

C17H34O5Si — CID 174249730

IUPAC2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane
SMILESCCC(CCCOCC1CO1)C1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C17H34O5Si/c1-5-15(9-8-11-21-13-16-14-22-16)17(18-2)10-6-7-12-23(17,19-3)20-4/h15-16H,5-14H2,1-4H3
InChIKeyBEKMHWADTCEOPR-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.05
Rot. Bonds11

About 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane

2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane (PubChem CID 174249730) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane.

Molecular Properties

Compound Name2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane
PubChem CID174249730
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane
SMILESCCC(CCCOCC1CO1)C1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C17H34O5Si/c1-5-15(9-8-11-21-13-16-14-22-16)17(18-2)10-6-7-12-23(17,19-3)20-4/h15-16H,5-14H2,1-4H3
InChIKeyBEKMHWADTCEOPR-UHFFFAOYSA-N
XLogP3.05
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.05
H-Bond Donors ≤ 50
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

2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane
CID 174781449
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-(4,4-diethoxybutoxymethyl)oxirane
CID 87292849
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-(9-methylundecoxymethyl)oxirane
CID 167130784
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane
CID 151765401
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
CID 174280958

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane?
The IUPAC name of 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane (CID 174249730) is 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane.
What is the SMILES notation for 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane?
The canonical SMILES for 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane is CCC(CCCOCC1CO1)C1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane?
The InChIKey is BEKMHWADTCEOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-5-15(9-8-11-21-13-16-14-22-16)17(18-2)10-6-7-12-23(17,19-3)20-4/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane?
2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane has a molecular weight of 346.54 g/mol, XLogP of 3.05, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1,2-trimethoxysilinan-2-yl)hexoxymethyl]oxirane is sourced from PubChem (CID 174249730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).