2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol

C18H38O7Si — CID 164788376

IUPAC2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol
SMILESCCCCOCCOC1OC(CCC(C)(C)[Si](C)(C)O)C(O)C(O)C1O
InChIInChI=1S/C18H38O7Si/c1-6-7-10-23-11-12-24-17-16(21)15(20)14(19)13(25-17)8-9-18(2,3)26(4,5)22/h13-17,19-22H,6-12H2,1-5H3
InChIKeyZMCBPFBMEZMIIQ-UHFFFAOYSA-N
MW394.58 g/mol
LogP1.39
Rot. Bonds11

About 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol

2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol (PubChem CID 164788376) has the molecular formula C18H38O7Si and a molecular weight of 394.58 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol
PubChem CID164788376
Molecular FormulaC18H38O7Si
Molecular Weight394.58 g/mol
Exact Mass394.24
IUPAC Name2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol
SMILESCCCCOCCOC1OC(CCC(C)(C)[Si](C)(C)O)C(O)C(O)C1O
InChIInChI=1S/C18H38O7Si/c1-6-7-10-23-11-12-24-17-16(21)15(20)14(19)13(25-17)8-9-18(2,3)26(4,5)22/h13-17,19-22H,6-12H2,1-5H3
InChIKeyZMCBPFBMEZMIIQ-UHFFFAOYSA-N
XLogP1.39
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol?
The IUPAC name of 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol (CID 164788376) is 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol.
What is the SMILES notation for 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol?
The canonical SMILES for 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol is CCCCOCCOC1OC(CCC(C)(C)[Si](C)(C)O)C(O)C(O)C1O.
What is the InChIKey of 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol?
The InChIKey is ZMCBPFBMEZMIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O7Si/c1-6-7-10-23-11-12-24-17-16(21)15(20)14(19)13(25-17)8-9-18(2,3)26(4,5)22/h13-17,19-22H,6-12H2,1-5H3.
What are the key properties of 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol?
2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol has a molecular weight of 394.58 g/mol, XLogP of 1.39, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxane-3,4,5-triol is sourced from PubChem (CID 164788376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).