1-ethoxy-3-methoxy-3-methylpentane

C9H20O2 — CID 91125176

IUPAC1-ethoxy-3-methoxy-3-methylpentane
SMILESCCOCCC(C)(CC)OC
InChIInChI=1S/C9H20O2/c1-5-9(3,10-4)7-8-11-6-2/h5-8H2,1-4H3
InChIKeyXUBJNTYWNMEEQU-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds6

About 1-ethoxy-3-methoxy-3-methylpentane

1-ethoxy-3-methoxy-3-methylpentane (PubChem CID 91125176) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-ethoxy-3-methoxy-3-methylpentane.

Molecular Properties

Compound Name1-ethoxy-3-methoxy-3-methylpentane
PubChem CID91125176
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-ethoxy-3-methoxy-3-methylpentane
SMILESCCOCCC(C)(CC)OC
InChIInChI=1S/C9H20O2/c1-5-9(3,10-4)7-8-11-6-2/h5-8H2,1-4H3
InChIKeyXUBJNTYWNMEEQU-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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

Amyl-t-butyl ether
CID 139094
Diathylather
CID 13272235
Diethyl ethyl propyl ether
CID 90692927
[4-(3-Methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite
CID 170030162
Pentyl tert-pentyl ether
CID 54156519
1-Methoxy-1,1-dimethyl-3-propoxypropane
CID 44602848
3-Methoxy-3-methyl-1-(2-methylpropoxy)butane
CID 44602849
3-Methoxy-3-methyl-1-(3-methylbutoxy)butane
CID 44602850
1,3-Diethoxy-3-methylbutane
CID 18667890
3-Ethoxy-3-(ethoxymethyl)pentane
CID 19354116
2-Methyl-4-(3-methylpentan-3-yloxy)butan-2-ol
CID 19602316
3-Ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol
CID 20578015

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methoxy-3-methylpentane?
The IUPAC name of 1-ethoxy-3-methoxy-3-methylpentane (CID 91125176) is 1-ethoxy-3-methoxy-3-methylpentane.
What is the SMILES notation for 1-ethoxy-3-methoxy-3-methylpentane?
The canonical SMILES for 1-ethoxy-3-methoxy-3-methylpentane is CCOCCC(C)(CC)OC.
What is the InChIKey of 1-ethoxy-3-methoxy-3-methylpentane?
The InChIKey is XUBJNTYWNMEEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-9(3,10-4)7-8-11-6-2/h5-8H2,1-4H3.
What are the key properties of 1-ethoxy-3-methoxy-3-methylpentane?
1-ethoxy-3-methoxy-3-methylpentane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methoxy-3-methylpentane is sourced from PubChem (CID 91125176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).