1,3-bis(2-methoxyethoxy)propan-2-one

C9H18O5 — CID 14893271

IUPAC1,3-bis(2-methoxyethoxy)propan-2-one
SMILESCOCCOCC(=O)COCCOC
InChIInChI=1S/C9H18O5/c1-11-3-5-13-7-9(10)8-14-6-4-12-2/h3-8H2,1-2H3
InChIKeyDUYKZVRKTLLVNE-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.12
Rot. Bonds10

About 1,3-bis(2-methoxyethoxy)propan-2-one

1,3-bis(2-methoxyethoxy)propan-2-one (PubChem CID 14893271) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethoxy)propan-2-one.

Molecular Properties

Compound Name1,3-bis(2-methoxyethoxy)propan-2-one
PubChem CID14893271
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name1,3-bis(2-methoxyethoxy)propan-2-one
SMILESCOCCOCC(=O)COCCOC
InChIInChI=1S/C9H18O5/c1-11-3-5-13-7-9(10)8-14-6-4-12-2/h3-8H2,1-2H3
InChIKeyDUYKZVRKTLLVNE-UHFFFAOYSA-N
XLogP-0.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethoxy)propan-2-one?
The IUPAC name of 1,3-bis(2-methoxyethoxy)propan-2-one (CID 14893271) is 1,3-bis(2-methoxyethoxy)propan-2-one.
What is the SMILES notation for 1,3-bis(2-methoxyethoxy)propan-2-one?
The canonical SMILES for 1,3-bis(2-methoxyethoxy)propan-2-one is COCCOCC(=O)COCCOC.
What is the InChIKey of 1,3-bis(2-methoxyethoxy)propan-2-one?
The InChIKey is DUYKZVRKTLLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-11-3-5-13-7-9(10)8-14-6-4-12-2/h3-8H2,1-2H3.
What are the key properties of 1,3-bis(2-methoxyethoxy)propan-2-one?
1,3-bis(2-methoxyethoxy)propan-2-one has a molecular weight of 206.24 g/mol, XLogP of -0.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethoxy)propan-2-one is sourced from PubChem (CID 14893271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).