2-methyl-2-prop-2-enyloxolane

C8H14O — CID 13114884

IUPAC2-methyl-2-prop-2-enyloxolane
SMILESC=CCC1(C)CCCO1
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9-8/h3H,1,4-7H2,2H3
InChIKeyWRFGMLQFMIKBIB-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

About 2-methyl-2-prop-2-enyloxolane

2-methyl-2-prop-2-enyloxolane (PubChem CID 13114884) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enyloxolane.

Molecular Properties

Compound Name2-methyl-2-prop-2-enyloxolane
PubChem CID13114884
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methyl-2-prop-2-enyloxolane
SMILESC=CCC1(C)CCCO1
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9-8/h3H,1,4-7H2,2H3
InChIKeyWRFGMLQFMIKBIB-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-2-prop-2-enyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enyloxolane?
The IUPAC name of 2-methyl-2-prop-2-enyloxolane (CID 13114884) is 2-methyl-2-prop-2-enyloxolane.
What is the SMILES notation for 2-methyl-2-prop-2-enyloxolane?
The canonical SMILES for 2-methyl-2-prop-2-enyloxolane is C=CCC1(C)CCCO1.
What is the InChIKey of 2-methyl-2-prop-2-enyloxolane?
The InChIKey is WRFGMLQFMIKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-methyl-2-prop-2-enyloxolane?
2-methyl-2-prop-2-enyloxolane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enyloxolane is sourced from PubChem (CID 13114884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).