5-methylidene-2,2-bis(prop-2-enyl)oxolane

C11H16O — CID 86072546

IUPAC5-methylidene-2,2-bis(prop-2-enyl)oxolane
SMILESC=CCC1(CC=C)CCC(=C)O1
InChIInChI=1S/C11H16O/c1-4-7-11(8-5-2)9-6-10(3)12-11/h4-5H,1-3,6-9H2
InChIKeyHYPYHFPDRNXUPE-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.20
Rot. Bonds4

About 5-methylidene-2,2-bis(prop-2-enyl)oxolane

5-methylidene-2,2-bis(prop-2-enyl)oxolane (PubChem CID 86072546) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methylidene-2,2-bis(prop-2-enyl)oxolane.

Molecular Properties

Compound Name5-methylidene-2,2-bis(prop-2-enyl)oxolane
PubChem CID86072546
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-methylidene-2,2-bis(prop-2-enyl)oxolane
SMILESC=CCC1(CC=C)CCC(=C)O1
InChIInChI=1S/C11H16O/c1-4-7-11(8-5-2)9-6-10(3)12-11/h4-5H,1-3,6-9H2
InChIKeyHYPYHFPDRNXUPE-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Allyl-2-methyltetrahydrofuran
CID 13114884
3-Ethenyl-2,2,5,5-tetramethyloxolane
CID 14593314
2,2-Bis(prop-2-enyl)oxolane
CID 11446452
5,5-bis(prop-2-enyl)-3,4-dihydro-2H-furan-2-ide;uranium
CID 145653109
2-Prop-2-enyl-2-propyloxolane
CID 174587150
5-Methyl-2,2-bis(prop-2-enyl)oxolane
CID 12060287
2-Methyl-5-propan-2-ylidene-2-prop-2-enyloxolane
CID 14560564
3,3-Dimethyl-5-methylidene-2,2-bis(prop-2-enyl)oxolane
CID 86072624
2,5-Dimethyl-2-prop-2-enyloxolane
CID 91139131
2,2-Di(3-butenyl)tetrahydrofuran
CID 93948328
2,2,5,5-Tetramethyl-3-prop-2-enyloxolane
CID 114624501

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,2-bis(prop-2-enyl)oxolane?
The IUPAC name of 5-methylidene-2,2-bis(prop-2-enyl)oxolane (CID 86072546) is 5-methylidene-2,2-bis(prop-2-enyl)oxolane.
What is the SMILES notation for 5-methylidene-2,2-bis(prop-2-enyl)oxolane?
The canonical SMILES for 5-methylidene-2,2-bis(prop-2-enyl)oxolane is C=CCC1(CC=C)CCC(=C)O1.
What is the InChIKey of 5-methylidene-2,2-bis(prop-2-enyl)oxolane?
The InChIKey is HYPYHFPDRNXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-7-11(8-5-2)9-6-10(3)12-11/h4-5H,1-3,6-9H2.
What are the key properties of 5-methylidene-2,2-bis(prop-2-enyl)oxolane?
5-methylidene-2,2-bis(prop-2-enyl)oxolane has a molecular weight of 164.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,2-bis(prop-2-enyl)oxolane is sourced from PubChem (CID 86072546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).