2,2,5,5-tetramethyl-3-prop-2-enyloxolane

C11H20O — CID 114624501

IUPAC2,2,5,5-tetramethyl-3-prop-2-enyloxolane
SMILESC=CCC1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O/c1-6-7-9-8-10(2,3)12-11(9,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyUZPUGTPBWDWPPT-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 2,2,5,5-tetramethyl-3-prop-2-enyloxolane

2,2,5,5-tetramethyl-3-prop-2-enyloxolane (PubChem CID 114624501) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-prop-2-enyloxolane.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-prop-2-enyloxolane
PubChem CID114624501
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2,5,5-tetramethyl-3-prop-2-enyloxolane
SMILESC=CCC1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O/c1-6-7-9-8-10(2,3)12-11(9,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyUZPUGTPBWDWPPT-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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 2,2,5,5-tetramethyl-3-prop-2-enyloxolane?
The IUPAC name of 2,2,5,5-tetramethyl-3-prop-2-enyloxolane (CID 114624501) is 2,2,5,5-tetramethyl-3-prop-2-enyloxolane.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-prop-2-enyloxolane?
The canonical SMILES for 2,2,5,5-tetramethyl-3-prop-2-enyloxolane is C=CCC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-3-prop-2-enyloxolane?
The InChIKey is UZPUGTPBWDWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-7-9-8-10(2,3)12-11(9,4)5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 2,2,5,5-tetramethyl-3-prop-2-enyloxolane?
2,2,5,5-tetramethyl-3-prop-2-enyloxolane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-prop-2-enyloxolane is sourced from PubChem (CID 114624501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).