hydroxymethoxymethanol;propane-1,2-diol

C5H14O5 — CID 87307826

IUPAChydroxymethoxymethanol;propane-1,2-diol
SMILESCC(O)CO.OCOCO
InChIInChI=1S/C3H8O2.C2H6O3/c1-3(5)2-4;3-1-5-2-4/h3-5H,2H2,1H3;3-4H,1-2H2
InChIKeyNRDFELFZROSHNJ-UHFFFAOYSA-N
MW154.16 g/mol
LogP-1.74
Rot. Bonds3

About hydroxymethoxymethanol;propane-1,2-diol

hydroxymethoxymethanol;propane-1,2-diol (PubChem CID 87307826) has the molecular formula C5H14O5 and a molecular weight of 154.16 g/mol. Its IUPAC name is hydroxymethoxymethanol;propane-1,2-diol.

Molecular Properties

Compound Namehydroxymethoxymethanol;propane-1,2-diol
PubChem CID87307826
Molecular FormulaC5H14O5
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Namehydroxymethoxymethanol;propane-1,2-diol
SMILESCC(O)CO.OCOCO
InChIInChI=1S/C3H8O2.C2H6O3/c1-3(5)2-4;3-1-5-2-4/h3-5H,2H2,1H3;3-4H,1-2H2
InChIKeyNRDFELFZROSHNJ-UHFFFAOYSA-N
XLogP-1.74
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propane-1,2-diol
CID 23506506
methoxymethane;propane-1,2-diol
CID 23435252
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
sodium;hydride;methoxymethane;propane-1,2-diol
CID 174416744
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
nitroxyl;propane-1,2-diol
CID 175455323
chloroform;propane-1,2-diol
CID 159626759

Frequently Asked Questions

What is the IUPAC name of hydroxymethoxymethanol;propane-1,2-diol?
The IUPAC name of hydroxymethoxymethanol;propane-1,2-diol (CID 87307826) is hydroxymethoxymethanol;propane-1,2-diol.
What is the SMILES notation for hydroxymethoxymethanol;propane-1,2-diol?
The canonical SMILES for hydroxymethoxymethanol;propane-1,2-diol is CC(O)CO.OCOCO.
What is the InChIKey of hydroxymethoxymethanol;propane-1,2-diol?
The InChIKey is NRDFELFZROSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H6O3/c1-3(5)2-4;3-1-5-2-4/h3-5H,2H2,1H3;3-4H,1-2H2.
What are the key properties of hydroxymethoxymethanol;propane-1,2-diol?
hydroxymethoxymethanol;propane-1,2-diol has a molecular weight of 154.16 g/mol, XLogP of -1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxymethanol;propane-1,2-diol is sourced from PubChem (CID 87307826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).