2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane

C15H24O2 — CID 56851672

IUPAC2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane
SMILESC=CC1(C(COC2CCCCO2)C(=C)C)CC1
InChIInChI=1S/C15H24O2/c1-4-15(8-9-15)13(12(2)3)11-17-14-7-5-6-10-16-14/h4,13-14H,1-2,5-11H2,3H3
InChIKeySWTLNHGPTGKSRK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane

2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane (PubChem CID 56851672) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane.

Molecular Properties

Compound Name2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane
PubChem CID56851672
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane
SMILESC=CC1(C(COC2CCCCO2)C(=C)C)CC1
InChIInChI=1S/C15H24O2/c1-4-15(8-9-15)13(12(2)3)11-17-14-7-5-6-10-16-14/h4,13-14H,1-2,5-11H2,3H3
InChIKeySWTLNHGPTGKSRK-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane?
The IUPAC name of 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane (CID 56851672) is 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane.
What is the SMILES notation for 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane?
The canonical SMILES for 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane is C=CC1(C(COC2CCCCO2)C(=C)C)CC1.
What is the InChIKey of 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane?
The InChIKey is SWTLNHGPTGKSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-15(8-9-15)13(12(2)3)11-17-14-7-5-6-10-16-14/h4,13-14H,1-2,5-11H2,3H3.
What are the key properties of 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane?
2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane has a molecular weight of 236.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethenylcyclopropyl)-3-methylbut-3-enoxy]oxane is sourced from PubChem (CID 56851672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).