2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol

C17H36O7Si — CID 90351093

IUPAC2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol
SMILESCCCC[Si](OCC)(OCC)OCC1OC(C(C)C)C(O)C(O)C1O
InChIInChI=1S/C17H36O7Si/c1-6-9-10-25(21-7-2,22-8-3)23-11-13-14(18)15(19)16(20)17(24-13)12(4)5/h12-20H,6-11H2,1-5H3
InChIKeyTYOCQMUMHZZYMR-UHFFFAOYSA-N
MW380.55 g/mol
LogP1.32
Rot. Bonds11

About 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol

2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol (PubChem CID 90351093) has the molecular formula C17H36O7Si and a molecular weight of 380.55 g/mol. Its IUPAC name is 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol
PubChem CID90351093
Molecular FormulaC17H36O7Si
Molecular Weight380.55 g/mol
Exact Mass380.22
IUPAC Name2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol
SMILESCCCC[Si](OCC)(OCC)OCC1OC(C(C)C)C(O)C(O)C1O
InChIInChI=1S/C17H36O7Si/c1-6-9-10-25(21-7-2,22-8-3)23-11-13-14(18)15(19)16(20)17(24-13)12(4)5/h12-20H,6-11H2,1-5H3
InChIKeyTYOCQMUMHZZYMR-UHFFFAOYSA-N
XLogP1.32
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol with MolForge

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Related Compounds

2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 118014534
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
butyl(triethoxy)silane;methanethioic S-acid
CID 175031462

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol?
The IUPAC name of 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol (CID 90351093) is 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol.
What is the SMILES notation for 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol?
The canonical SMILES for 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol is CCCC[Si](OCC)(OCC)OCC1OC(C(C)C)C(O)C(O)C1O.
What is the InChIKey of 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol?
The InChIKey is TYOCQMUMHZZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O7Si/c1-6-9-10-25(21-7-2,22-8-3)23-11-13-14(18)15(19)16(20)17(24-13)12(4)5/h12-20H,6-11H2,1-5H3.
What are the key properties of 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol?
2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol has a molecular weight of 380.55 g/mol, XLogP of 1.32, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(diethoxy)silyl]oxymethyl]-6-propan-2-yloxane-3,4,5-triol is sourced from PubChem (CID 90351093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).