2-(2-ethenoxyethoxy)-3-methylbutane

C9H18O2 — CID 164755037

IUPAC2-(2-ethenoxyethoxy)-3-methylbutane
SMILESC=COCCOC(C)C(C)C
InChIInChI=1S/C9H18O2/c1-5-10-6-7-11-9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyQPYMJWQWGQNRSJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.21
Rot. Bonds6

About 2-(2-ethenoxyethoxy)-3-methylbutane

2-(2-ethenoxyethoxy)-3-methylbutane (PubChem CID 164755037) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)-3-methylbutane.

Molecular Properties

Compound Name2-(2-ethenoxyethoxy)-3-methylbutane
PubChem CID164755037
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(2-ethenoxyethoxy)-3-methylbutane
SMILESC=COCCOC(C)C(C)C
InChIInChI=1S/C9H18O2/c1-5-10-6-7-11-9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyQPYMJWQWGQNRSJ-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethenoxyethoxy)butan-2-ol
CID 90891465
2-(2-ethenoxyethoxy)propane
CID 14510947
6-(3-methylbutan-2-yloxy)hex-1-ene
CID 123623641
1-ethenoxy-2-methoxyethane
CID 15457
2-[2-(2-ethenoxyethoxy)-2-propan-2-yloxyethoxy]propane
CID 167337510
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
CID 89181158
1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane
CID 134509540
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470
1-(2-ethenoxyethoxy)propyl-dimethoxy-methylsilane
CID 87660001
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
CID 173009851
N-(2-ethenoxyethoxy)methanamine
CID 59596547

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxy)-3-methylbutane?
The IUPAC name of 2-(2-ethenoxyethoxy)-3-methylbutane (CID 164755037) is 2-(2-ethenoxyethoxy)-3-methylbutane.
What is the SMILES notation for 2-(2-ethenoxyethoxy)-3-methylbutane?
The canonical SMILES for 2-(2-ethenoxyethoxy)-3-methylbutane is C=COCCOC(C)C(C)C.
What is the InChIKey of 2-(2-ethenoxyethoxy)-3-methylbutane?
The InChIKey is QPYMJWQWGQNRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-10-6-7-11-9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2-(2-ethenoxyethoxy)-3-methylbutane?
2-(2-ethenoxyethoxy)-3-methylbutane has a molecular weight of 158.24 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxy)-3-methylbutane is sourced from PubChem (CID 164755037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).