2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol

C16H26O7 — CID 85382765

IUPAC2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol
SMILESC=C(C)C1CC=C(COC2OC(CO)C(O)C(O)C2O)C(O)C1
InChIInChI=1S/C16H26O7/c1-8(2)9-3-4-10(11(18)5-9)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4,9,11-21H,1,3,5-7H2,2H3
InChIKeyFOPFIQVPEVWICE-UHFFFAOYSA-N
MW330.38 g/mol
LogP-0.92
Rot. Bonds5

About 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol (PubChem CID 85382765) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol
PubChem CID85382765
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol
SMILESC=C(C)C1CC=C(COC2OC(CO)C(O)C(O)C2O)C(O)C1
InChIInChI=1S/C16H26O7/c1-8(2)9-3-4-10(11(18)5-9)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4,9,11-21H,1,3,5-7H2,2H3
InChIKeyFOPFIQVPEVWICE-UHFFFAOYSA-N
XLogP-0.92
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol (CID 85382765) is 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol is C=C(C)C1CC=C(COC2OC(CO)C(O)C(O)C2O)C(O)C1.
What is the InChIKey of 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol?
The InChIKey is FOPFIQVPEVWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O7/c1-8(2)9-3-4-10(11(18)5-9)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4,9,11-21H,1,3,5-7H2,2H3.
What are the key properties of 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol has a molecular weight of 330.38 g/mol, XLogP of -0.92, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 85382765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).