2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H28O8 — CID 85189026

IUPAC2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=CC1(CO)CCC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)O1
InChIInChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3
InChIKeyQSBRHMSGMHEVKB-UHFFFAOYSA-N
MW348.39 g/mol
LogP-1.32
Rot. Bonds6

About 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 85189026) has the molecular formula C16H28O8 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID85189026
Molecular FormulaC16H28O8
Molecular Weight348.39 g/mol
Exact Mass348.18
IUPAC Name2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=CC1(CO)CCC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)O1
InChIInChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3
InChIKeyQSBRHMSGMHEVKB-UHFFFAOYSA-N
XLogP-1.32
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 85189026) is 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C=CC1(CO)CCC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)O1.
What is the InChIKey of 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is QSBRHMSGMHEVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3.
What are the key properties of 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 348.39 g/mol, XLogP of -1.32, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 85189026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).