2-(3-methylbut-3-en-2-yloxymethyl)oxirane

C8H14O2 — CID 88958408

IUPAC2-(3-methylbut-3-en-2-yloxymethyl)oxirane
SMILESC=C(C)C(C)OCC1CO1
InChIInChI=1S/C8H14O2/c1-6(2)7(3)9-4-8-5-10-8/h7-8H,1,4-5H2,2-3H3
InChIKeyMTLVCZRXUABIKW-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds4

About 2-(3-methylbut-3-en-2-yloxymethyl)oxirane

2-(3-methylbut-3-en-2-yloxymethyl)oxirane (PubChem CID 88958408) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(3-methylbut-3-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-methylbut-3-en-2-yloxymethyl)oxirane
PubChem CID88958408
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(3-methylbut-3-en-2-yloxymethyl)oxirane
SMILESC=C(C)C(C)OCC1CO1
InChIInChI=1S/C8H14O2/c1-6(2)7(3)9-4-8-5-10-8/h7-8H,1,4-5H2,2-3H3
InChIKeyMTLVCZRXUABIKW-UHFFFAOYSA-N
XLogP1.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-en-2-yloxymethyl)oxirane?
The IUPAC name of 2-(3-methylbut-3-en-2-yloxymethyl)oxirane (CID 88958408) is 2-(3-methylbut-3-en-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(3-methylbut-3-en-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(3-methylbut-3-en-2-yloxymethyl)oxirane is C=C(C)C(C)OCC1CO1.
What is the InChIKey of 2-(3-methylbut-3-en-2-yloxymethyl)oxirane?
The InChIKey is MTLVCZRXUABIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)7(3)9-4-8-5-10-8/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 2-(3-methylbut-3-en-2-yloxymethyl)oxirane?
2-(3-methylbut-3-en-2-yloxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 88958408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).