2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane

C15H26O — CID 91750490

IUPAC2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
SMILESC=CC1(C)CCCC(C)(CCC=C(C)C)O1
InChIInChI=1S/C15H26O/c1-6-14(4)11-8-12-15(5,16-14)10-7-9-13(2)3/h6,9H,1,7-8,10-12H2,2-5H3
InChIKeyUCUXXGXEGCFWQD-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds4

About 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane

2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane (PubChem CID 91750490) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane.

Molecular Properties

Compound Name2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
PubChem CID91750490
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
SMILESC=CC1(C)CCCC(C)(CCC=C(C)C)O1
InChIInChI=1S/C15H26O/c1-6-14(4)11-8-12-15(5,16-14)10-7-9-13(2)3/h6,9H,1,7-8,10-12H2,2-5H3
InChIKeyUCUXXGXEGCFWQD-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
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-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
The IUPAC name of 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane (CID 91750490) is 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane.
What is the SMILES notation for 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
The canonical SMILES for 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane is C=CC1(C)CCCC(C)(CCC=C(C)C)O1.
What is the InChIKey of 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
The InChIKey is UCUXXGXEGCFWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-6-14(4)11-8-12-15(5,16-14)10-7-9-13(2)3/h6,9H,1,7-8,10-12H2,2-5H3.
What are the key properties of 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane has a molecular weight of 222.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane is sourced from PubChem (CID 91750490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).