2-prop-1-en-2-yloxane

C8H14O — CID 68849969

IUPAC2-prop-1-en-2-yloxane
SMILESC=C(C)C1CCCCO1
InChIInChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h8H,1,3-6H2,2H3
InChIKeyONHYBNYWPASUPJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About 2-prop-1-en-2-yloxane

2-prop-1-en-2-yloxane (PubChem CID 68849969) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-prop-1-en-2-yloxane.

Molecular Properties

Compound Name2-prop-1-en-2-yloxane
PubChem CID68849969
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-prop-1-en-2-yloxane
SMILESC=C(C)C1CCCCO1
InChIInChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h8H,1,3-6H2,2H3
InChIKeyONHYBNYWPASUPJ-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yloxane?
The IUPAC name of 2-prop-1-en-2-yloxane (CID 68849969) is 2-prop-1-en-2-yloxane.
What is the SMILES notation for 2-prop-1-en-2-yloxane?
The canonical SMILES for 2-prop-1-en-2-yloxane is C=C(C)C1CCCCO1.
What is the InChIKey of 2-prop-1-en-2-yloxane?
The InChIKey is ONHYBNYWPASUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h8H,1,3-6H2,2H3.
What are the key properties of 2-prop-1-en-2-yloxane?
2-prop-1-en-2-yloxane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yloxane is sourced from PubChem (CID 68849969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).