2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane

C14H30O5 — CID 87533992

IUPAC2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
SMILESCCOCC(COCC)OC(COCC)COCC
InChIInChI=1S/C14H30O5/c1-5-15-9-13(10-16-6-2)19-14(11-17-7-3)12-18-8-4/h13-14H,5-12H2,1-4H3
InChIKeyJLMWLYBVXWUBNE-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.89
Rot. Bonds14

About 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane

2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane (PubChem CID 87533992) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane.

Molecular Properties

Compound Name2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
PubChem CID87533992
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
SMILESCCOCC(COCC)OC(COCC)COCC
InChIInChI=1S/C14H30O5/c1-5-15-9-13(10-16-6-2)19-14(11-17-7-3)12-18-8-4/h13-14H,5-12H2,1-4H3
InChIKeyJLMWLYBVXWUBNE-UHFFFAOYSA-N
XLogP1.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

O-(1-aminooxy-3-ethoxypropan-2-yl)hydroxylamine
CID 87320683
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
benzene;1,2-diethoxybutane
CID 67553171
3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine
CID 123359366
(2R)-3-ethoxy-2-methoxy-N,N-dimethylpropan-1-amine
CID 118521701
2,3-diethoxy-N-iodopropan-1-amine
CID 166782054
1-ethoxypropan-2-ylphosphane
CID 89068231
ethoxyethane
CID 19002445
ethoxyethane
CID 18694919
1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
CID 88855236
(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
CID 88965568

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane?
The IUPAC name of 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane (CID 87533992) is 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane.
What is the SMILES notation for 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane?
The canonical SMILES for 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane is CCOCC(COCC)OC(COCC)COCC.
What is the InChIKey of 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane?
The InChIKey is JLMWLYBVXWUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5/c1-5-15-9-13(10-16-6-2)19-14(11-17-7-3)12-18-8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane?
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane has a molecular weight of 278.39 g/mol, XLogP of 1.89, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane is sourced from PubChem (CID 87533992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).