1-(1,1-dipropoxyethoxy)propane

C11H24O3 — CID 21433420

IUPAC1-(1,1-dipropoxyethoxy)propane
SMILESCCCOC(C)(OCCC)OCCC
InChIInChI=1S/C11H24O3/c1-5-8-12-11(4,13-9-6-2)14-10-7-3/h5-10H2,1-4H3
InChIKeyJDQNNHFSSCEQPM-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.94
Rot. Bonds9

About 1-(1,1-dipropoxyethoxy)propane

1-(1,1-dipropoxyethoxy)propane (PubChem CID 21433420) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(1,1-dipropoxyethoxy)propane.

Molecular Properties

Compound Name1-(1,1-dipropoxyethoxy)propane
PubChem CID21433420
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name1-(1,1-dipropoxyethoxy)propane
SMILESCCCOC(C)(OCCC)OCCC
InChIInChI=1S/C11H24O3/c1-5-8-12-11(4,13-9-6-2)14-10-7-3/h5-10H2,1-4H3
InChIKeyJDQNNHFSSCEQPM-UHFFFAOYSA-N
XLogP2.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(1,1-dipropoxyethoxy)propane?
The IUPAC name of 1-(1,1-dipropoxyethoxy)propane (CID 21433420) is 1-(1,1-dipropoxyethoxy)propane.
What is the SMILES notation for 1-(1,1-dipropoxyethoxy)propane?
The canonical SMILES for 1-(1,1-dipropoxyethoxy)propane is CCCOC(C)(OCCC)OCCC.
What is the InChIKey of 1-(1,1-dipropoxyethoxy)propane?
The InChIKey is JDQNNHFSSCEQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-5-8-12-11(4,13-9-6-2)14-10-7-3/h5-10H2,1-4H3.
What are the key properties of 1-(1,1-dipropoxyethoxy)propane?
1-(1,1-dipropoxyethoxy)propane has a molecular weight of 204.31 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dipropoxyethoxy)propane is sourced from PubChem (CID 21433420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).