1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol

C13H28O7 — CID 71445138

IUPAC1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(COC)OCC(O)COC(COC)COC
InChIInChI=1S/C13H28O7/c1-15-7-12(8-16-2)19-5-11(14)6-20-13(9-17-3)10-18-4/h11-14H,5-10H2,1-4H3
InChIKeyGWCBLAZDCIVTHV-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.30
Rot. Bonds14

About 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol

1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol (PubChem CID 71445138) has the molecular formula C13H28O7 and a molecular weight of 296.36 g/mol. Its IUPAC name is 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
PubChem CID71445138
Molecular FormulaC13H28O7
Molecular Weight296.36 g/mol
Exact Mass296.18
IUPAC Name1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(COC)OCC(O)COC(COC)COC
InChIInChI=1S/C13H28O7/c1-15-7-12(8-16-2)19-5-11(14)6-20-13(9-17-3)10-18-4/h11-14H,5-10H2,1-4H3
InChIKeyGWCBLAZDCIVTHV-UHFFFAOYSA-N
XLogP-0.30
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962
2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol
CID 171403130
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
CID 162200906
CID 162200906
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
1-(1,3-dioctoxypropan-2-yloxy)-3-octoxypropan-2-ol
CID 87462950
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
1,3-bis[1,3-bis(2,4,4-trimethylpentan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 123567720
1,5-dimethoxypentane-2,4-diol
CID 88937884

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol (CID 71445138) is 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol is COCC(COC)OCC(O)COC(COC)COC.
What is the InChIKey of 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol?
The InChIKey is GWCBLAZDCIVTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O7/c1-15-7-12(8-16-2)19-5-11(14)6-20-13(9-17-3)10-18-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol?
1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol has a molecular weight of 296.36 g/mol, XLogP of -0.30, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 71445138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).