2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane

C15H26O — CID 550119

IUPAC2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane
SMILESCC(C)=CCCC1(C)OCC1CC=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)7-6-10-15(5)14(11-16-15)9-8-13(3)4/h7-8,14H,6,9-11H2,1-5H3
InChIKeyAWNPSYCZIWLZRX-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.49
Rot. Bonds5

About 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane

2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane (PubChem CID 550119) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane.

Molecular Properties

Compound Name2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane
PubChem CID550119
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane
SMILESCC(C)=CCCC1(C)OCC1CC=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)7-6-10-15(5)14(11-16-15)9-8-13(3)4/h7-8,14H,6,9-11H2,1-5H3
InChIKeyAWNPSYCZIWLZRX-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.49
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-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane?
The IUPAC name of 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane (CID 550119) is 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane.
What is the SMILES notation for 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane?
The canonical SMILES for 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane is CC(C)=CCCC1(C)OCC1CC=C(C)C.
What is the InChIKey of 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane?
The InChIKey is AWNPSYCZIWLZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)7-6-10-15(5)14(11-16-15)9-8-13(3)4/h7-8,14H,6,9-11H2,1-5H3.
What are the key properties of 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane?
2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane has a molecular weight of 222.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane is sourced from PubChem (CID 550119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).