1,1-dipropoxypropane

C9H20O2 — CID 521219

IUPAC1,1-dipropoxypropane
SMILESCCCOC(CC)OCCC
InChIInChI=1S/C9H20O2/c1-4-7-10-9(6-3)11-8-5-2/h9H,4-8H2,1-3H3
InChIKeyQIDYONASNONTLI-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.58
Rot. Bonds7

About 1,1-dipropoxypropane

1,1-dipropoxypropane (PubChem CID 521219) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,1-dipropoxypropane.

Molecular Properties

Compound Name1,1-dipropoxypropane
PubChem CID521219
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,1-dipropoxypropane
SMILESCCCOC(CC)OCCC
InChIInChI=1S/C9H20O2/c1-4-7-10-9(6-3)11-8-5-2/h9H,4-8H2,1-3H3
InChIKeyQIDYONASNONTLI-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dipropoxypropane?
The IUPAC name of 1,1-dipropoxypropane (CID 521219) is 1,1-dipropoxypropane.
What is the SMILES notation for 1,1-dipropoxypropane?
The canonical SMILES for 1,1-dipropoxypropane is CCCOC(CC)OCCC.
What is the InChIKey of 1,1-dipropoxypropane?
The InChIKey is QIDYONASNONTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-7-10-9(6-3)11-8-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 1,1-dipropoxypropane?
1,1-dipropoxypropane has a molecular weight of 160.26 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropoxypropane is sourced from PubChem (CID 521219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).