1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol

C8H18O4 — CID 107508429

IUPAC1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(O)COC(C)COC
InChIInChI=1S/C8H18O4/c1-7(4-10-2)12-6-8(9)5-11-3/h7-9H,4-6H2,1-3H3
InChIKeyUBQJQZSQVIUWRI-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.05
Rot. Bonds7

About 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 107508429) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID107508429
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(O)COC(C)COC
InChIInChI=1S/C8H18O4/c1-7(4-10-2)12-6-8(9)5-11-3/h7-9H,4-6H2,1-3H3
InChIKeyUBQJQZSQVIUWRI-UHFFFAOYSA-N
XLogP0.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992238
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988251
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
CID 106991752
1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 107508429) is 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(O)COC(C)COC.
What is the InChIKey of 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is UBQJQZSQVIUWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-7(4-10-2)12-6-8(9)5-11-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 178.23 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 107508429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).