1-ethoxy-3-propan-2-yloxypropane

C8H18O2 — CID 20768952

IUPAC1-ethoxy-3-propan-2-yloxypropane
SMILESCCOCCCOC(C)C
InChIInChI=1S/C8H18O2/c1-4-9-6-5-7-10-8(2)3/h8H,4-7H2,1-3H3
InChIKeyBXVMJXVVWOEPPD-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.84
Rot. Bonds6

About 1-ethoxy-3-propan-2-yloxypropane

1-ethoxy-3-propan-2-yloxypropane (PubChem CID 20768952) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-ethoxy-3-propan-2-yloxypropane.

Molecular Properties

Compound Name1-ethoxy-3-propan-2-yloxypropane
PubChem CID20768952
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-ethoxy-3-propan-2-yloxypropane
SMILESCCOCCCOC(C)C
InChIInChI=1S/C8H18O2/c1-4-9-6-5-7-10-8(2)3/h8H,4-7H2,1-3H3
InChIKeyBXVMJXVVWOEPPD-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-3-(3-methoxypropoxy)propane
CID 86302
Bis(2-butyl) ether
CID 23294
1-Butoxy-3-methoxypropane
CID 161503
1,3-Diethoxypropane
CID 137943
1,2'-Oxydipropanol dimethyl ether
CID 14455226
Ethoxypropanol butyl ether
CID 57508774
1-(1-Methylpropoxy)butane
CID 545725
2-((Propan-2-yl)oxy)butane
CID 29179
1,2,3-Tris(2-methoxyethoxy)propane
CID 22886703
1,5,9-Trioxacyclododecane
CID 23620147
1-Methoxy-3-propoxypropane
CID 19812566
3-((Pentan-3-yl)oxy)pentane
CID 19819093

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-propan-2-yloxypropane?
The IUPAC name of 1-ethoxy-3-propan-2-yloxypropane (CID 20768952) is 1-ethoxy-3-propan-2-yloxypropane.
What is the SMILES notation for 1-ethoxy-3-propan-2-yloxypropane?
The canonical SMILES for 1-ethoxy-3-propan-2-yloxypropane is CCOCCCOC(C)C.
What is the InChIKey of 1-ethoxy-3-propan-2-yloxypropane?
The InChIKey is BXVMJXVVWOEPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-9-6-5-7-10-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-3-propan-2-yloxypropane?
1-ethoxy-3-propan-2-yloxypropane has a molecular weight of 146.23 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-propan-2-yloxypropane is sourced from PubChem (CID 20768952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).