2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane

C11H20O2 — CID 151716142

IUPAC2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane
SMILESCCC(CCOC=C(C)C)C1CO1
InChIInChI=1S/C11H20O2/c1-4-10(11-8-13-11)5-6-12-7-9(2)3/h7,10-11H,4-6,8H2,1-3H3
InChIKeyRHPHEAKKYMTHJI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds6

About 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane

2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane (PubChem CID 151716142) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane
PubChem CID151716142
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane
SMILESCCC(CCOC=C(C)C)C1CO1
InChIInChI=1S/C11H20O2/c1-4-10(11-8-13-11)5-6-12-7-9(2)3/h7,10-11H,4-6,8H2,1-3H3
InChIKeyRHPHEAKKYMTHJI-UHFFFAOYSA-N
XLogP2.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane (CID 151716142) is 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane is CCC(CCOC=C(C)C)C1CO1.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane?
The InChIKey is RHPHEAKKYMTHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-10(11-8-13-11)5-6-12-7-9(2)3/h7,10-11H,4-6,8H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane?
2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)pentan-3-yl]oxirane is sourced from PubChem (CID 151716142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).