1-(methoxymethoxy)propane-1,3-diol

C5H12O4 — CID 175692192

IUPAC1-(methoxymethoxy)propane-1,3-diol
SMILESCOCOC(O)CCO
InChIInChI=1S/C5H12O4/c1-8-4-9-5(7)2-3-6/h5-7H,2-4H2,1H3
InChIKeyCJWVAEHBUZELRL-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.69
Rot. Bonds5

About 1-(methoxymethoxy)propane-1,3-diol

1-(methoxymethoxy)propane-1,3-diol (PubChem CID 175692192) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(methoxymethoxy)propane-1,3-diol.

Molecular Properties

Compound Name1-(methoxymethoxy)propane-1,3-diol
PubChem CID175692192
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Name1-(methoxymethoxy)propane-1,3-diol
SMILESCOCOC(O)CCO
InChIInChI=1S/C5H12O4/c1-8-4-9-5(7)2-3-6/h5-7H,2-4H2,1H3
InChIKeyCJWVAEHBUZELRL-UHFFFAOYSA-N
XLogP-0.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.69
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

(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 101465372
5-methoxy-3-(methoxymethoxy)pentan-1-ol
CID 146175623
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
(2R)-2-(methoxymethoxy)butane-1,3-diol
CID 87662516
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol
CID 134857946
methyl 1-(1,3-dihydroxypropoxymethyl)-4-iodopyrazole-3-carboxylate
CID 20978963
(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol
CID 89333893
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
(8S)-8-(methoxymethoxy)dec-9-en-1-ol
CID 24862520
1-(ethoxymethoxy)butan-1-ol
CID 19047954
(E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol
CID 10976246

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)propane-1,3-diol?
The IUPAC name of 1-(methoxymethoxy)propane-1,3-diol (CID 175692192) is 1-(methoxymethoxy)propane-1,3-diol.
What is the SMILES notation for 1-(methoxymethoxy)propane-1,3-diol?
The canonical SMILES for 1-(methoxymethoxy)propane-1,3-diol is COCOC(O)CCO.
What is the InChIKey of 1-(methoxymethoxy)propane-1,3-diol?
The InChIKey is CJWVAEHBUZELRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4/c1-8-4-9-5(7)2-3-6/h5-7H,2-4H2,1H3.
What are the key properties of 1-(methoxymethoxy)propane-1,3-diol?
1-(methoxymethoxy)propane-1,3-diol has a molecular weight of 136.15 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)propane-1,3-diol is sourced from PubChem (CID 175692192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).