(4S)-4-ethenyl-3,3-dimethyloxane

C9H16O — CID 138494717

IUPAC(4S)-4-ethenyl-3,3-dimethyloxane
SMILESC=C[C@@H]1CCOCC1(C)C
InChIInChI=1S/C9H16O/c1-4-8-5-6-10-7-9(8,2)3/h4,8H,1,5-7H2,2-3H3/t8-/m1/s1
InChIKeyUXJDXENGANKQIF-MRVPVSSYSA-N
MW140.23 g/mol
LogP2.24
Rot. Bonds1

About (4S)-4-ethenyl-3,3-dimethyloxane

(4S)-4-ethenyl-3,3-dimethyloxane (PubChem CID 138494717) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4S)-4-ethenyl-3,3-dimethyloxane.

Molecular Properties

Compound Name(4S)-4-ethenyl-3,3-dimethyloxane
PubChem CID138494717
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4S)-4-ethenyl-3,3-dimethyloxane
SMILESC=C[C@@H]1CCOCC1(C)C
InChIInChI=1S/C9H16O/c1-4-8-5-6-10-7-9(8,2)3/h4,8H,1,5-7H2,2-3H3/t8-/m1/s1
InChIKeyUXJDXENGANKQIF-MRVPVSSYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-ethenyl-3,3-dimethyloxane 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 (4S)-4-ethenyl-3,3-dimethyloxane?
The IUPAC name of (4S)-4-ethenyl-3,3-dimethyloxane (CID 138494717) is (4S)-4-ethenyl-3,3-dimethyloxane.
What is the SMILES notation for (4S)-4-ethenyl-3,3-dimethyloxane?
The canonical SMILES for (4S)-4-ethenyl-3,3-dimethyloxane is C=C[C@@H]1CCOCC1(C)C.
What is the InChIKey of (4S)-4-ethenyl-3,3-dimethyloxane?
The InChIKey is UXJDXENGANKQIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-8-5-6-10-7-9(8,2)3/h4,8H,1,5-7H2,2-3H3/t8-/m1/s1.
What are the key properties of (4S)-4-ethenyl-3,3-dimethyloxane?
(4S)-4-ethenyl-3,3-dimethyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-3,3-dimethyloxane is sourced from PubChem (CID 138494717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).