2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H26O8 — CID 14466825

IUPAC2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1=C(CCOC2OC(CO)C(O)C(O)C2O)CCC1CO
InChIInChI=1S/C15H26O8/c16-5-9-2-1-8(10(9)6-17)3-4-22-15-14(21)13(20)12(19)11(7-18)23-15/h9,11-21H,1-7H2
InChIKeyHLXIDWOXFIYQOX-UHFFFAOYSA-N
MW334.37 g/mol
LogP-2.12
Rot. Bonds7

About 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 14466825) has the molecular formula C15H26O8 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID14466825
Molecular FormulaC15H26O8
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1=C(CCOC2OC(CO)C(O)C(O)C2O)CCC1CO
InChIInChI=1S/C15H26O8/c16-5-9-2-1-8(10(9)6-17)3-4-22-15-14(21)13(20)12(19)11(7-18)23-15/h9,11-21H,1-7H2
InChIKeyHLXIDWOXFIYQOX-UHFFFAOYSA-N
XLogP-2.12
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 5-2.12
H-Bond Donors ≤ 56
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-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 14466825) is 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1=C(CCOC2OC(CO)C(O)C(O)C2O)CCC1CO.
What is the InChIKey of 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is HLXIDWOXFIYQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O8/c16-5-9-2-1-8(10(9)6-17)3-4-22-15-14(21)13(20)12(19)11(7-18)23-15/h9,11-21H,1-7H2.
What are the key properties of 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 334.37 g/mol, XLogP of -2.12, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 14466825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).