3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane

C12H18O — CID 58460926

IUPAC3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(C)C(C=C)C1C=C
InChIInChI=1S/C12H18O/c1-5-8-12-11(7-3)10(6-2)9(4)13-12/h5-7,9-12H,1-3,8H2,4H3
InChIKeyHGZUUCGRRLFWAH-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.95
Rot. Bonds4

About 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane

3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane (PubChem CID 58460926) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane
PubChem CID58460926
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(C)C(C=C)C1C=C
InChIInChI=1S/C12H18O/c1-5-8-12-11(7-3)10(6-2)9(4)13-12/h5-7,9-12H,1-3,8H2,4H3
InChIKeyHGZUUCGRRLFWAH-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.95
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 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane?
The IUPAC name of 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane (CID 58460926) is 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane.
What is the SMILES notation for 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane?
The canonical SMILES for 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane is C=CCC1OC(C)C(C=C)C1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane?
The InChIKey is HGZUUCGRRLFWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-8-12-11(7-3)10(6-2)9(4)13-12/h5-7,9-12H,1-3,8H2,4H3.
What are the key properties of 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane?
3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane has a molecular weight of 178.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-2-methyl-5-prop-2-enyloxolane is sourced from PubChem (CID 58460926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).