1-(prop-1-en-2-yloxymethoxy)butane

C8H16O2 — CID 21305908

IUPAC1-(prop-1-en-2-yloxymethoxy)butane
SMILESC=C(C)OCOCCCC
InChIInChI=1S/C8H16O2/c1-4-5-6-9-7-10-8(2)3/h2,4-7H2,1,3H3
InChIKeyFXLGQVSXTNEGOY-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.31
Rot. Bonds6

About 1-(prop-1-en-2-yloxymethoxy)butane

1-(prop-1-en-2-yloxymethoxy)butane (PubChem CID 21305908) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(prop-1-en-2-yloxymethoxy)butane.

Molecular Properties

Compound Name1-(prop-1-en-2-yloxymethoxy)butane
PubChem CID21305908
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(prop-1-en-2-yloxymethoxy)butane
SMILESC=C(C)OCOCCCC
InChIInChI=1S/C8H16O2/c1-4-5-6-9-7-10-8(2)3/h2,4-7H2,1,3H3
InChIKeyFXLGQVSXTNEGOY-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.31
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-1-en-2-yloxymethoxy)butane?
The IUPAC name of 1-(prop-1-en-2-yloxymethoxy)butane (CID 21305908) is 1-(prop-1-en-2-yloxymethoxy)butane.
What is the SMILES notation for 1-(prop-1-en-2-yloxymethoxy)butane?
The canonical SMILES for 1-(prop-1-en-2-yloxymethoxy)butane is C=C(C)OCOCCCC.
What is the InChIKey of 1-(prop-1-en-2-yloxymethoxy)butane?
The InChIKey is FXLGQVSXTNEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-6-9-7-10-8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 1-(prop-1-en-2-yloxymethoxy)butane?
1-(prop-1-en-2-yloxymethoxy)butane has a molecular weight of 144.21 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-1-en-2-yloxymethoxy)butane is sourced from PubChem (CID 21305908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).