1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde

C10H20O8 — CID 123589036

IUPAC1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde
SMILESCOCC(O)COCOCCOCO.O=CC=O
InChIInChI=1S/C8H18O6.C2H2O2/c1-11-4-8(10)5-14-7-13-3-2-12-6-9;3-1-2-4/h8-10H,2-7H2,1H3;1-2H
InChIKeyQRBWMWDZQGNQHT-UHFFFAOYSA-N
MW268.26 g/mol
LogP-1.66
Rot. Bonds11

About 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde

1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde (PubChem CID 123589036) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde.

Molecular Properties

Compound Name1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde
PubChem CID123589036
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde
SMILESCOCC(O)COCOCCOCO.O=CC=O
InChIInChI=1S/C8H18O6.C2H2O2/c1-11-4-8(10)5-14-7-13-3-2-12-6-9;3-1-2-4/h8-10H,2-7H2,1H3;1-2H
InChIKeyQRBWMWDZQGNQHT-UHFFFAOYSA-N
XLogP-1.66
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
3-(2-hydroxy-3-methoxypropoxy)propanamide
CID 172515689
2-methoxyethoxymethanol
CID 18720532
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate
CID 165092067
tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde
CID 159941931
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde?
The IUPAC name of 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde (CID 123589036) is 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde.
What is the SMILES notation for 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde?
The canonical SMILES for 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde is COCC(O)COCOCCOCO.O=CC=O.
What is the InChIKey of 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde?
The InChIKey is QRBWMWDZQGNQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6.C2H2O2/c1-11-4-8(10)5-14-7-13-3-2-12-6-9;3-1-2-4/h8-10H,2-7H2,1H3;1-2H.
What are the key properties of 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde?
1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde has a molecular weight of 268.26 g/mol, XLogP of -1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde is sourced from PubChem (CID 123589036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).