6-(hydroxymethyl)-2-methoxyoxane-2,3-diol

C7H14O5 — CID 156818457

IUPAC6-(hydroxymethyl)-2-methoxyoxane-2,3-diol
SMILESCOC1(O)OC(CO)CCC1O
InChIInChI=1S/C7H14O5/c1-11-7(10)6(9)3-2-5(4-8)12-7/h5-6,8-10H,2-4H2,1H3
InChIKeyBMFFUHQRXTWKFT-UHFFFAOYSA-N
MW178.18 g/mol
LogP-1.19
Rot. Bonds2

About 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol

6-(hydroxymethyl)-2-methoxyoxane-2,3-diol (PubChem CID 156818457) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methoxyoxane-2,3-diol
PubChem CID156818457
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name6-(hydroxymethyl)-2-methoxyoxane-2,3-diol
SMILESCOC1(O)OC(CO)CCC1O
InChIInChI=1S/C7H14O5/c1-11-7(10)6(9)3-2-5(4-8)12-7/h5-6,8-10H,2-4H2,1H3
InChIKeyBMFFUHQRXTWKFT-UHFFFAOYSA-N
XLogP-1.19
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol?
The IUPAC name of 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol (CID 156818457) is 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol is COC1(O)OC(CO)CCC1O.
What is the InChIKey of 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol?
The InChIKey is BMFFUHQRXTWKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-11-7(10)6(9)3-2-5(4-8)12-7/h5-6,8-10H,2-4H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol?
6-(hydroxymethyl)-2-methoxyoxane-2,3-diol has a molecular weight of 178.18 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methoxyoxane-2,3-diol is sourced from PubChem (CID 156818457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).