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

C11H18O — CID 12060287

IUPAC5-methyl-2,2-bis(prop-2-enyl)oxolane
SMILESC=CCC1(CC=C)CCC(C)O1
InChIInChI=1S/C11H18O/c1-4-7-11(8-5-2)9-6-10(3)12-11/h4-5,10H,1-2,6-9H2,3H3
InChIKeyPZGBUDIPFFCKHN-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds4

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

5-methyl-2,2-bis(prop-2-enyl)oxolane (PubChem CID 12060287) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-methyl-2,2-bis(prop-2-enyl)oxolane.

Molecular Properties

Compound Name5-methyl-2,2-bis(prop-2-enyl)oxolane
PubChem CID12060287
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-methyl-2,2-bis(prop-2-enyl)oxolane
SMILESC=CCC1(CC=C)CCC(C)O1
InChIInChI=1S/C11H18O/c1-4-7-11(8-5-2)9-6-10(3)12-11/h4-5,10H,1-2,6-9H2,3H3
InChIKeyPZGBUDIPFFCKHN-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
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 5-methyl-2,2-bis(prop-2-enyl)oxolane?
The IUPAC name of 5-methyl-2,2-bis(prop-2-enyl)oxolane (CID 12060287) is 5-methyl-2,2-bis(prop-2-enyl)oxolane.
What is the SMILES notation for 5-methyl-2,2-bis(prop-2-enyl)oxolane?
The canonical SMILES for 5-methyl-2,2-bis(prop-2-enyl)oxolane is C=CCC1(CC=C)CCC(C)O1.
What is the InChIKey of 5-methyl-2,2-bis(prop-2-enyl)oxolane?
The InChIKey is PZGBUDIPFFCKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-7-11(8-5-2)9-6-10(3)12-11/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 5-methyl-2,2-bis(prop-2-enyl)oxolane?
5-methyl-2,2-bis(prop-2-enyl)oxolane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,2-bis(prop-2-enyl)oxolane is sourced from PubChem (CID 12060287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).