[3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol

C7H16O6 — CID 18339030

IUPAC[3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol
SMILESOCOCC(COCO)COCO
InChIInChI=1S/C7H16O6/c8-4-11-1-7(2-12-5-9)3-13-6-10/h7-10H,1-6H2
InChIKeyVVTYIOUNEWKISU-UHFFFAOYSA-N
MW196.20 g/mol
LogP-1.50
Rot. Bonds9

About [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol

[3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol (PubChem CID 18339030) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol.

Molecular Properties

Compound Name[3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol
PubChem CID18339030
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name[3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol
SMILESOCOCC(COCO)COCO
InChIInChI=1S/C7H16O6/c8-4-11-1-7(2-12-5-9)3-13-6-10/h7-10H,1-6H2
InChIKeyVVTYIOUNEWKISU-UHFFFAOYSA-N
XLogP-1.50
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol?
The IUPAC name of [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol (CID 18339030) is [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol.
What is the SMILES notation for [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol?
The canonical SMILES for [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol is OCOCC(COCO)COCO.
What is the InChIKey of [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol?
The InChIKey is VVTYIOUNEWKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6/c8-4-11-1-7(2-12-5-9)3-13-6-10/h7-10H,1-6H2.
What are the key properties of [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol?
[3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol has a molecular weight of 196.20 g/mol, XLogP of -1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethoxy)-2-(hydroxymethoxymethyl)propoxy]methanol is sourced from PubChem (CID 18339030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).