1-ethoxy-2-methyl-1-propoxypropane

C9H20O2 — CID 53422438

IUPAC1-ethoxy-2-methyl-1-propoxypropane
SMILESCCCOC(OCC)C(C)C
InChIInChI=1S/C9H20O2/c1-5-7-11-9(8(3)4)10-6-2/h8-9H,5-7H2,1-4H3
InChIKeyCTLMNNSGIIMNPA-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.43
Rot. Bonds6

About 1-ethoxy-2-methyl-1-propoxypropane

1-ethoxy-2-methyl-1-propoxypropane (PubChem CID 53422438) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-ethoxy-2-methyl-1-propoxypropane.

Molecular Properties

Compound Name1-ethoxy-2-methyl-1-propoxypropane
PubChem CID53422438
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-ethoxy-2-methyl-1-propoxypropane
SMILESCCCOC(OCC)C(C)C
InChIInChI=1S/C9H20O2/c1-5-7-11-9(8(3)4)10-6-2/h8-9H,5-7H2,1-4H3
InChIKeyCTLMNNSGIIMNPA-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.43
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-ethoxy-2-methyl-1-propoxypropane?
The IUPAC name of 1-ethoxy-2-methyl-1-propoxypropane (CID 53422438) is 1-ethoxy-2-methyl-1-propoxypropane.
What is the SMILES notation for 1-ethoxy-2-methyl-1-propoxypropane?
The canonical SMILES for 1-ethoxy-2-methyl-1-propoxypropane is CCCOC(OCC)C(C)C.
What is the InChIKey of 1-ethoxy-2-methyl-1-propoxypropane?
The InChIKey is CTLMNNSGIIMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-7-11-9(8(3)4)10-6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethoxy-2-methyl-1-propoxypropane?
1-ethoxy-2-methyl-1-propoxypropane has a molecular weight of 160.26 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methyl-1-propoxypropane is sourced from PubChem (CID 53422438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).