1-methoxy-4-prop-2-enoxybutane

C8H16O2 — CID 13445102

IUPAC1-methoxy-4-prop-2-enoxybutane
SMILESC=CCOCCCCOC
InChIInChI=1S/C8H16O2/c1-3-6-10-8-5-4-7-9-2/h3H,1,4-8H2,2H3
InChIKeyYWNSTLCAKRZAMD-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.62
Rot. Bonds7

About 1-methoxy-4-prop-2-enoxybutane

1-methoxy-4-prop-2-enoxybutane (PubChem CID 13445102) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-methoxy-4-prop-2-enoxybutane.

Molecular Properties

Compound Name1-methoxy-4-prop-2-enoxybutane
PubChem CID13445102
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-methoxy-4-prop-2-enoxybutane
SMILESC=CCOCCCCOC
InChIInChI=1S/C8H16O2/c1-3-6-10-8-5-4-7-9-2/h3H,1,4-8H2,2H3
InChIKeyYWNSTLCAKRZAMD-UHFFFAOYSA-N
XLogP1.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.62
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 1-methoxy-4-prop-2-enoxybutane?
The IUPAC name of 1-methoxy-4-prop-2-enoxybutane (CID 13445102) is 1-methoxy-4-prop-2-enoxybutane.
What is the SMILES notation for 1-methoxy-4-prop-2-enoxybutane?
The canonical SMILES for 1-methoxy-4-prop-2-enoxybutane is C=CCOCCCCOC.
What is the InChIKey of 1-methoxy-4-prop-2-enoxybutane?
The InChIKey is YWNSTLCAKRZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-6-10-8-5-4-7-9-2/h3H,1,4-8H2,2H3.
What are the key properties of 1-methoxy-4-prop-2-enoxybutane?
1-methoxy-4-prop-2-enoxybutane has a molecular weight of 144.21 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-prop-2-enoxybutane is sourced from PubChem (CID 13445102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).