2-(2-prop-2-enoxyethoxy)butane

C9H18O2 — CID 20802041

IUPAC2-(2-prop-2-enoxyethoxy)butane
SMILESC=CCOCCOC(C)CC
InChIInChI=1S/C9H18O2/c1-4-6-10-7-8-11-9(3)5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyIMEAOXFGQYEDPM-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.00
Rot. Bonds7

About 2-(2-prop-2-enoxyethoxy)butane

2-(2-prop-2-enoxyethoxy)butane (PubChem CID 20802041) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyethoxy)butane.

Molecular Properties

Compound Name2-(2-prop-2-enoxyethoxy)butane
PubChem CID20802041
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(2-prop-2-enoxyethoxy)butane
SMILESC=CCOCCOC(C)CC
InChIInChI=1S/C9H18O2/c1-4-6-10-7-8-11-9(3)5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyIMEAOXFGQYEDPM-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyethoxy)butane?
The IUPAC name of 2-(2-prop-2-enoxyethoxy)butane (CID 20802041) is 2-(2-prop-2-enoxyethoxy)butane.
What is the SMILES notation for 2-(2-prop-2-enoxyethoxy)butane?
The canonical SMILES for 2-(2-prop-2-enoxyethoxy)butane is C=CCOCCOC(C)CC.
What is the InChIKey of 2-(2-prop-2-enoxyethoxy)butane?
The InChIKey is IMEAOXFGQYEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-10-7-8-11-9(3)5-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2-(2-prop-2-enoxyethoxy)butane?
2-(2-prop-2-enoxyethoxy)butane has a molecular weight of 158.24 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyethoxy)butane is sourced from PubChem (CID 20802041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).