4-ethenyl-4-methyloxan-2-ol

C8H14O2 — CID 175501188

IUPAC4-ethenyl-4-methyloxan-2-ol
SMILESC=CC1(C)CCOC(O)C1
InChIInChI=1S/C8H14O2/c1-3-8(2)4-5-10-7(9)6-8/h3,7,9H,1,4-6H2,2H3
InChIKeyXWOPAEFDRSPITQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.31
Rot. Bonds1

About 4-ethenyl-4-methyloxan-2-ol

4-ethenyl-4-methyloxan-2-ol (PubChem CID 175501188) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-ethenyl-4-methyloxan-2-ol.

Molecular Properties

Compound Name4-ethenyl-4-methyloxan-2-ol
PubChem CID175501188
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-ethenyl-4-methyloxan-2-ol
SMILESC=CC1(C)CCOC(O)C1
InChIInChI=1S/C8H14O2/c1-3-8(2)4-5-10-7(9)6-8/h3,7,9H,1,4-6H2,2H3
InChIKeyXWOPAEFDRSPITQ-UHFFFAOYSA-N
XLogP1.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-4-methyloxan-2-ol 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 4-ethenyl-4-methyloxan-2-ol?
The IUPAC name of 4-ethenyl-4-methyloxan-2-ol (CID 175501188) is 4-ethenyl-4-methyloxan-2-ol.
What is the SMILES notation for 4-ethenyl-4-methyloxan-2-ol?
The canonical SMILES for 4-ethenyl-4-methyloxan-2-ol is C=CC1(C)CCOC(O)C1.
What is the InChIKey of 4-ethenyl-4-methyloxan-2-ol?
The InChIKey is XWOPAEFDRSPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-8(2)4-5-10-7(9)6-8/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 4-ethenyl-4-methyloxan-2-ol?
4-ethenyl-4-methyloxan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methyloxan-2-ol is sourced from PubChem (CID 175501188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).