2-ethyl-2-(4-methylpent-4-enyl)oxane

C13H24O — CID 156519166

IUPAC2-ethyl-2-(4-methylpent-4-enyl)oxane
SMILESC=C(C)CCCC1(CC)CCCCO1
InChIInChI=1S/C13H24O/c1-4-13(9-5-6-11-14-13)10-7-8-12(2)3/h2,4-11H2,1,3H3
InChIKeySHKKMWJYVRBBSF-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.08
Rot. Bonds5

About 2-ethyl-2-(4-methylpent-4-enyl)oxane

2-ethyl-2-(4-methylpent-4-enyl)oxane (PubChem CID 156519166) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-ethyl-2-(4-methylpent-4-enyl)oxane.

Molecular Properties

Compound Name2-ethyl-2-(4-methylpent-4-enyl)oxane
PubChem CID156519166
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-ethyl-2-(4-methylpent-4-enyl)oxane
SMILESC=C(C)CCCC1(CC)CCCCO1
InChIInChI=1S/C13H24O/c1-4-13(9-5-6-11-14-13)10-7-8-12(2)3/h2,4-11H2,1,3H3
InChIKeySHKKMWJYVRBBSF-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.08
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-ethyl-2-(4-methylpent-4-enyl)oxane?
The IUPAC name of 2-ethyl-2-(4-methylpent-4-enyl)oxane (CID 156519166) is 2-ethyl-2-(4-methylpent-4-enyl)oxane.
What is the SMILES notation for 2-ethyl-2-(4-methylpent-4-enyl)oxane?
The canonical SMILES for 2-ethyl-2-(4-methylpent-4-enyl)oxane is C=C(C)CCCC1(CC)CCCCO1.
What is the InChIKey of 2-ethyl-2-(4-methylpent-4-enyl)oxane?
The InChIKey is SHKKMWJYVRBBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-13(9-5-6-11-14-13)10-7-8-12(2)3/h2,4-11H2,1,3H3.
What are the key properties of 2-ethyl-2-(4-methylpent-4-enyl)oxane?
2-ethyl-2-(4-methylpent-4-enyl)oxane has a molecular weight of 196.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methylpent-4-enyl)oxane is sourced from PubChem (CID 156519166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).