1-methoxy-1-(2-methoxyethoxy)propane

C7H16O3 — CID 139725364

IUPAC1-methoxy-1-(2-methoxyethoxy)propane
SMILESCCC(OC)OCCOC
InChIInChI=1S/C7H16O3/c1-4-7(9-3)10-6-5-8-2/h7H,4-6H2,1-3H3
InChIKeyCEGRMOJLIREICF-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.03
Rot. Bonds6

About 1-methoxy-1-(2-methoxyethoxy)propane

1-methoxy-1-(2-methoxyethoxy)propane (PubChem CID 139725364) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methoxy-1-(2-methoxyethoxy)propane.

Molecular Properties

Compound Name1-methoxy-1-(2-methoxyethoxy)propane
PubChem CID139725364
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-methoxy-1-(2-methoxyethoxy)propane
SMILESCCC(OC)OCCOC
InChIInChI=1S/C7H16O3/c1-4-7(9-3)10-6-5-8-2/h7H,4-6H2,1-3H3
InChIKeyCEGRMOJLIREICF-UHFFFAOYSA-N
XLogP1.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(2-methoxyethoxy)propane?
The IUPAC name of 1-methoxy-1-(2-methoxyethoxy)propane (CID 139725364) is 1-methoxy-1-(2-methoxyethoxy)propane.
What is the SMILES notation for 1-methoxy-1-(2-methoxyethoxy)propane?
The canonical SMILES for 1-methoxy-1-(2-methoxyethoxy)propane is CCC(OC)OCCOC.
What is the InChIKey of 1-methoxy-1-(2-methoxyethoxy)propane?
The InChIKey is CEGRMOJLIREICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-7(9-3)10-6-5-8-2/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-1-(2-methoxyethoxy)propane?
1-methoxy-1-(2-methoxyethoxy)propane has a molecular weight of 148.20 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(2-methoxyethoxy)propane is sourced from PubChem (CID 139725364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).