5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol

C17H34O8 — CID 90770460

IUPAC5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol
SMILESCOC(C)(C)CCOC(C)(C)CCOC1C(O)C(O)OC1C(O)CO
InChIInChI=1S/C17H34O8/c1-16(2,22-5)7-9-24-17(3,4)6-8-23-14-12(20)15(21)25-13(14)11(19)10-18/h11-15,18-21H,6-10H2,1-5H3
InChIKeyHLBSZXLKSKUTIJ-UHFFFAOYSA-N
MW366.45 g/mol
LogP-0.20
Rot. Bonds11

About 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol

5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol (PubChem CID 90770460) has the molecular formula C17H34O8 and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol
PubChem CID90770460
Molecular FormulaC17H34O8
Molecular Weight366.45 g/mol
Exact Mass366.23
IUPAC Name5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol
SMILESCOC(C)(C)CCOC(C)(C)CCOC1C(O)C(O)OC1C(O)CO
InChIInChI=1S/C17H34O8/c1-16(2,22-5)7-9-24-17(3,4)6-8-23-14-12(20)15(21)25-13(14)11(19)10-18/h11-15,18-21H,6-10H2,1-5H3
InChIKeyHLBSZXLKSKUTIJ-UHFFFAOYSA-N
XLogP-0.20
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol?
The IUPAC name of 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol (CID 90770460) is 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol is COC(C)(C)CCOC(C)(C)CCOC1C(O)C(O)OC1C(O)CO.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol?
The InChIKey is HLBSZXLKSKUTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O8/c1-16(2,22-5)7-9-24-17(3,4)6-8-23-14-12(20)15(21)25-13(14)11(19)10-18/h11-15,18-21H,6-10H2,1-5H3.
What are the key properties of 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol?
5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol has a molecular weight of 366.45 g/mol, XLogP of -0.20, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)-4-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]oxolane-2,3-diol is sourced from PubChem (CID 90770460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).