4-methyl-3-prop-1-en-2-yloxyoxane

C9H16O2 — CID 166820795

IUPAC4-methyl-3-prop-1-en-2-yloxyoxane
SMILESC=C(C)OC1COCCC1C
InChIInChI=1S/C9H16O2/c1-7(2)11-9-6-10-5-4-8(9)3/h8-9H,1,4-6H2,2-3H3
InChIKeyKNGDJQWSUVJYOP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds2

About 4-methyl-3-prop-1-en-2-yloxyoxane

4-methyl-3-prop-1-en-2-yloxyoxane (PubChem CID 166820795) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-methyl-3-prop-1-en-2-yloxyoxane.

Molecular Properties

Compound Name4-methyl-3-prop-1-en-2-yloxyoxane
PubChem CID166820795
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-methyl-3-prop-1-en-2-yloxyoxane
SMILESC=C(C)OC1COCCC1C
InChIInChI=1S/C9H16O2/c1-7(2)11-9-6-10-5-4-8(9)3/h8-9H,1,4-6H2,2-3H3
InChIKeyKNGDJQWSUVJYOP-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-1-en-2-yloxyoxane?
The IUPAC name of 4-methyl-3-prop-1-en-2-yloxyoxane (CID 166820795) is 4-methyl-3-prop-1-en-2-yloxyoxane.
What is the SMILES notation for 4-methyl-3-prop-1-en-2-yloxyoxane?
The canonical SMILES for 4-methyl-3-prop-1-en-2-yloxyoxane is C=C(C)OC1COCCC1C.
What is the InChIKey of 4-methyl-3-prop-1-en-2-yloxyoxane?
The InChIKey is KNGDJQWSUVJYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)11-9-6-10-5-4-8(9)3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 4-methyl-3-prop-1-en-2-yloxyoxane?
4-methyl-3-prop-1-en-2-yloxyoxane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-1-en-2-yloxyoxane is sourced from PubChem (CID 166820795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).