5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

C7H12O5 — CID 4634228

IUPAC5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
SMILESOCC1=CC(O)C(O)C(O)C1O
InChIInChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2
InChIKeyPJPGMULJEYSZBS-UHFFFAOYSA-N
MW176.17 g/mol
LogP-2.64
Rot. Bonds1

About 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol (PubChem CID 4634228) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
PubChem CID4634228
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
SMILESOCC1=CC(O)C(O)C(O)C1O
InChIInChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2
InChIKeyPJPGMULJEYSZBS-UHFFFAOYSA-N
XLogP-2.64
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
The IUPAC name of 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol (CID 4634228) is 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
The canonical SMILES for 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol is OCC1=CC(O)C(O)C(O)C1O.
What is the InChIKey of 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
The InChIKey is PJPGMULJEYSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2.
What are the key properties of 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol has a molecular weight of 176.17 g/mol, XLogP of -2.64, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 4634228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).