1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane

C9H20O4 — CID 24838541

IUPAC1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane
SMILESCOCC(C)OCC(COC)OC
InChIInChI=1S/C9H20O4/c1-8(5-10-2)13-7-9(12-4)6-11-3/h8-9H,5-7H2,1-4H3
InChIKeySVPVTPKCPCFVSE-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.70
Rot. Bonds8

About 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane

1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane (PubChem CID 24838541) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane.

Molecular Properties

Compound Name1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane
PubChem CID24838541
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane
SMILESCOCC(C)OCC(COC)OC
InChIInChI=1S/C9H20O4/c1-8(5-10-2)13-7-9(12-4)6-11-3/h8-9H,5-7H2,1-4H3
InChIKeySVPVTPKCPCFVSE-UHFFFAOYSA-N
XLogP0.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane?
The IUPAC name of 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane (CID 24838541) is 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane.
What is the SMILES notation for 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane?
The canonical SMILES for 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane is COCC(C)OCC(COC)OC.
What is the InChIKey of 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane?
The InChIKey is SVPVTPKCPCFVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-8(5-10-2)13-7-9(12-4)6-11-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane?
1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane has a molecular weight of 192.25 g/mol, XLogP of 0.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-(1-methoxypropan-2-yloxy)propane is sourced from PubChem (CID 24838541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).