1-ethoxy-1-propan-2-yloxypropane

C8H18O2 — CID 19964022

IUPAC1-ethoxy-1-propan-2-yloxypropane
SMILESCCOC(CC)OC(C)C
InChIInChI=1S/C8H18O2/c1-5-8(9-6-2)10-7(3)4/h7-8H,5-6H2,1-4H3
InChIKeyITHBKLPXPKVPOR-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.18
Rot. Bonds5

About 1-ethoxy-1-propan-2-yloxypropane

1-ethoxy-1-propan-2-yloxypropane (PubChem CID 19964022) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-ethoxy-1-propan-2-yloxypropane.

Molecular Properties

Compound Name1-ethoxy-1-propan-2-yloxypropane
PubChem CID19964022
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-ethoxy-1-propan-2-yloxypropane
SMILESCCOC(CC)OC(C)C
InChIInChI=1S/C8H18O2/c1-5-8(9-6-2)10-7(3)4/h7-8H,5-6H2,1-4H3
InChIKeyITHBKLPXPKVPOR-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.18
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-1-propan-2-yloxypropane?
The IUPAC name of 1-ethoxy-1-propan-2-yloxypropane (CID 19964022) is 1-ethoxy-1-propan-2-yloxypropane.
What is the SMILES notation for 1-ethoxy-1-propan-2-yloxypropane?
The canonical SMILES for 1-ethoxy-1-propan-2-yloxypropane is CCOC(CC)OC(C)C.
What is the InChIKey of 1-ethoxy-1-propan-2-yloxypropane?
The InChIKey is ITHBKLPXPKVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-8(9-6-2)10-7(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-ethoxy-1-propan-2-yloxypropane?
1-ethoxy-1-propan-2-yloxypropane has a molecular weight of 146.23 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-propan-2-yloxypropane is sourced from PubChem (CID 19964022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).