1-(hydroxymethoxy)ethoxymethanol

C4H10O4 — CID 87328336

IUPAC1-(hydroxymethoxy)ethoxymethanol
SMILESCC(OCO)OCO
InChIInChI=1S/C4H10O4/c1-4(7-2-5)8-3-6/h4-6H,2-3H2,1H3
InChIKeyMRTWQEWFPKRQNP-UHFFFAOYSA-N
MW122.12 g/mol
LogP-0.73
Rot. Bonds4

About 1-(hydroxymethoxy)ethoxymethanol

1-(hydroxymethoxy)ethoxymethanol (PubChem CID 87328336) has the molecular formula C4H10O4 and a molecular weight of 122.12 g/mol. Its IUPAC name is 1-(hydroxymethoxy)ethoxymethanol.

Molecular Properties

Compound Name1-(hydroxymethoxy)ethoxymethanol
PubChem CID87328336
Molecular FormulaC4H10O4
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Name1-(hydroxymethoxy)ethoxymethanol
SMILESCC(OCO)OCO
InChIInChI=1S/C4H10O4/c1-4(7-2-5)8-3-6/h4-6H,2-3H2,1H3
InChIKeyMRTWQEWFPKRQNP-UHFFFAOYSA-N
XLogP-0.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyethoxymethanol
CID 19047944
1-butoxyethoxymethanol
CID 19047949
1-aminoethoxymethanol
CID 76727864
(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;methane;propane-1,2,3-triol
CID 90107522
1,1-diethoxyethane;sulfane
CID 87563963
1,1-diethoxyethane;stannane
CID 87529398
carbonic acid;1,1-diethoxyethane
CID 87827362
[1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol
CID 88798252
3-(1-butoxyethoxy)propan-1-ol
CID 54457983

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethoxy)ethoxymethanol?
The IUPAC name of 1-(hydroxymethoxy)ethoxymethanol (CID 87328336) is 1-(hydroxymethoxy)ethoxymethanol.
What is the SMILES notation for 1-(hydroxymethoxy)ethoxymethanol?
The canonical SMILES for 1-(hydroxymethoxy)ethoxymethanol is CC(OCO)OCO.
What is the InChIKey of 1-(hydroxymethoxy)ethoxymethanol?
The InChIKey is MRTWQEWFPKRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4/c1-4(7-2-5)8-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 1-(hydroxymethoxy)ethoxymethanol?
1-(hydroxymethoxy)ethoxymethanol has a molecular weight of 122.12 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethoxy)ethoxymethanol is sourced from PubChem (CID 87328336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).