1,4-diethoxy-2-methylbutane

C9H20O2 — CID 59899860

IUPAC1,4-diethoxy-2-methylbutane
SMILESCCOCCC(C)COCC
InChIInChI=1S/C9H20O2/c1-4-10-7-6-9(3)8-11-5-2/h9H,4-8H2,1-3H3
InChIKeyIQEWCSRLCCRBMK-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds7

About 1,4-diethoxy-2-methylbutane

1,4-diethoxy-2-methylbutane (PubChem CID 59899860) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,4-diethoxy-2-methylbutane.

Molecular Properties

Compound Name1,4-diethoxy-2-methylbutane
PubChem CID59899860
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,4-diethoxy-2-methylbutane
SMILESCCOCCC(C)COCC
InChIInChI=1S/C9H20O2/c1-4-10-7-6-9(3)8-11-5-2/h9H,4-8H2,1-3H3
InChIKeyIQEWCSRLCCRBMK-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
5-ethoxy-3-methylpentan-1-amine
CID 87063287
1-ethoxy-3,5,5-trimethylhexane
CID 22002848
4-ethoxy-N,N-diethyl-3-methylbutan-1-amine
CID 10773944
7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol
CID 89363251
3-ethoxy-2-methylpropan-1-amine
CID 43175050
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
4-hydroperoxy-1-(4-hydroperoxy-2-methylbutoxy)-2-methylbutane
CID 88736696

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxy-2-methylbutane?
The IUPAC name of 1,4-diethoxy-2-methylbutane (CID 59899860) is 1,4-diethoxy-2-methylbutane.
What is the SMILES notation for 1,4-diethoxy-2-methylbutane?
The canonical SMILES for 1,4-diethoxy-2-methylbutane is CCOCCC(C)COCC.
What is the InChIKey of 1,4-diethoxy-2-methylbutane?
The InChIKey is IQEWCSRLCCRBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-10-7-6-9(3)8-11-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 1,4-diethoxy-2-methylbutane?
1,4-diethoxy-2-methylbutane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxy-2-methylbutane is sourced from PubChem (CID 59899860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).