(2S)-2-prop-1-en-2-yloxane

C8H14O — CID 102422127

IUPAC(2S)-2-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CCCCO1
InChIInChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h8H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyONHYBNYWPASUPJ-QMMMGPOBSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About (2S)-2-prop-1-en-2-yloxane

(2S)-2-prop-1-en-2-yloxane (PubChem CID 102422127) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S)-2-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2S)-2-prop-1-en-2-yloxane
PubChem CID102422127
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S)-2-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CCCCO1
InChIInChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h8H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyONHYBNYWPASUPJ-QMMMGPOBSA-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'}

Analyze (2S)-2-prop-1-en-2-yloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-1-en-2-yloxane?
The IUPAC name of (2S)-2-prop-1-en-2-yloxane (CID 102422127) is (2S)-2-prop-1-en-2-yloxane.
What is the SMILES notation for (2S)-2-prop-1-en-2-yloxane?
The canonical SMILES for (2S)-2-prop-1-en-2-yloxane is C=C(C)[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-prop-1-en-2-yloxane?
The InChIKey is ONHYBNYWPASUPJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h8H,1,3-6H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-prop-1-en-2-yloxane?
(2S)-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 (2S)-2-prop-1-en-2-yloxane is sourced from PubChem (CID 102422127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).