1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol

C11H24O6Si — CID 175163670

IUPAC1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol
SMILESCOC(O)(CCCOCC1CO1)C([SiH3])(OC)OC
InChIInChI=1S/C11H24O6Si/c1-13-10(12,11(18,14-2)15-3)5-4-6-16-7-9-8-17-9/h9,12H,4-8H2,1-3,18H3
InChIKeyZQNCYUFXNBCATO-UHFFFAOYSA-N
MW280.39 g/mol
LogP-1.17
Rot. Bonds10

About 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol

1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol (PubChem CID 175163670) has the molecular formula C11H24O6Si and a molecular weight of 280.39 g/mol. Its IUPAC name is 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol.

Molecular Properties

Compound Name1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol
PubChem CID175163670
Molecular FormulaC11H24O6Si
Molecular Weight280.39 g/mol
Exact Mass280.13
IUPAC Name1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol
SMILESCOC(O)(CCCOCC1CO1)C([SiH3])(OC)OC
InChIInChI=1S/C11H24O6Si/c1-13-10(12,11(18,14-2)15-3)5-4-6-16-7-9-8-17-9/h9,12H,4-8H2,1-3,18H3
InChIKeyZQNCYUFXNBCATO-UHFFFAOYSA-N
XLogP-1.17
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium
CID 87744459
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
CID 98041590
CID 87564568
CID 87564568
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-[[9-(oxiran-2-ylmethoxy)-5,5-bis[4-(oxiran-2-ylmethoxy)butyl]nonoxy]methyl]oxirane
CID 150577624
trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane
CID 144672879
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol?
The IUPAC name of 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol (CID 175163670) is 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol.
What is the SMILES notation for 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol?
The canonical SMILES for 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol is COC(O)(CCCOCC1CO1)C([SiH3])(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol?
The InChIKey is ZQNCYUFXNBCATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6Si/c1-13-10(12,11(18,14-2)15-3)5-4-6-16-7-9-8-17-9/h9,12H,4-8H2,1-3,18H3.
What are the key properties of 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol?
1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol has a molecular weight of 280.39 g/mol, XLogP of -1.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol is sourced from PubChem (CID 175163670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).