2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane

C13H22O — CID 45274958

IUPAC2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane
SMILESC=CC1(C)CCC(C(=C)C)C(CC)O1
InChIInChI=1S/C13H22O/c1-6-12-11(10(3)4)8-9-13(5,7-2)14-12/h7,11-12H,2-3,6,8-9H2,1,4-5H3
InChIKeyKCOYDHDGPHPKDR-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.71
Rot. Bonds3

About 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane

2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane (PubChem CID 45274958) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane.

Molecular Properties

Compound Name2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane
PubChem CID45274958
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane
SMILESC=CC1(C)CCC(C(=C)C)C(CC)O1
InChIInChI=1S/C13H22O/c1-6-12-11(10(3)4)8-9-13(5,7-2)14-12/h7,11-12H,2-3,6,8-9H2,1,4-5H3
InChIKeyKCOYDHDGPHPKDR-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-6-ethyl-2-methyl-5-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 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane?
The IUPAC name of 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane (CID 45274958) is 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane.
What is the SMILES notation for 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane?
The canonical SMILES for 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane is C=CC1(C)CCC(C(=C)C)C(CC)O1.
What is the InChIKey of 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane?
The InChIKey is KCOYDHDGPHPKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-6-12-11(10(3)4)8-9-13(5,7-2)14-12/h7,11-12H,2-3,6,8-9H2,1,4-5H3.
What are the key properties of 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane?
2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane has a molecular weight of 194.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-ethyl-2-methyl-5-prop-1-en-2-yloxane is sourced from PubChem (CID 45274958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).