4-ethoxy-2-methyl-1-prop-2-enoxybutane

C10H20O2 — CID 58604157

IUPAC4-ethoxy-2-methyl-1-prop-2-enoxybutane
SMILESC=CCOCC(C)CCOCC
InChIInChI=1S/C10H20O2/c1-4-7-12-9-10(3)6-8-11-5-2/h4,10H,1,5-9H2,2-3H3
InChIKeyMQLSKCKTLFMNCS-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.25
Rot. Bonds8

About 4-ethoxy-2-methyl-1-prop-2-enoxybutane

4-ethoxy-2-methyl-1-prop-2-enoxybutane (PubChem CID 58604157) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-1-prop-2-enoxybutane.

Molecular Properties

Compound Name4-ethoxy-2-methyl-1-prop-2-enoxybutane
PubChem CID58604157
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethoxy-2-methyl-1-prop-2-enoxybutane
SMILESC=CCOCC(C)CCOCC
InChIInChI=1S/C10H20O2/c1-4-7-12-9-10(3)6-8-11-5-2/h4,10H,1,5-9H2,2-3H3
InChIKeyMQLSKCKTLFMNCS-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.25
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 4-ethoxy-2-methyl-1-prop-2-enoxybutane?
The IUPAC name of 4-ethoxy-2-methyl-1-prop-2-enoxybutane (CID 58604157) is 4-ethoxy-2-methyl-1-prop-2-enoxybutane.
What is the SMILES notation for 4-ethoxy-2-methyl-1-prop-2-enoxybutane?
The canonical SMILES for 4-ethoxy-2-methyl-1-prop-2-enoxybutane is C=CCOCC(C)CCOCC.
What is the InChIKey of 4-ethoxy-2-methyl-1-prop-2-enoxybutane?
The InChIKey is MQLSKCKTLFMNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-12-9-10(3)6-8-11-5-2/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 4-ethoxy-2-methyl-1-prop-2-enoxybutane?
4-ethoxy-2-methyl-1-prop-2-enoxybutane has a molecular weight of 172.27 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-1-prop-2-enoxybutane is sourced from PubChem (CID 58604157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).