6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane

C14H24OS — CID 20514297

IUPAC6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane
SMILESCC1=C(C2CC(C)OCS2)C(C)(C)CCC1
InChIInChI=1S/C14H24OS/c1-10-6-5-7-14(3,4)13(10)12-8-11(2)15-9-16-12/h11-12H,5-9H2,1-4H3
InChIKeyPXYXOPYCSVKPEH-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.38
Rot. Bonds1

About 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane

6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane (PubChem CID 20514297) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane.

Molecular Properties

Compound Name6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane
PubChem CID20514297
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane
SMILESCC1=C(C2CC(C)OCS2)C(C)(C)CCC1
InChIInChI=1S/C14H24OS/c1-10-6-5-7-14(3,4)13(10)12-8-11(2)15-9-16-12/h11-12H,5-9H2,1-4H3
InChIKeyPXYXOPYCSVKPEH-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane 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 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane?
The IUPAC name of 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane (CID 20514297) is 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane.
What is the SMILES notation for 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane?
The canonical SMILES for 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane is CC1=C(C2CC(C)OCS2)C(C)(C)CCC1.
What is the InChIKey of 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane?
The InChIKey is PXYXOPYCSVKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-10-6-5-7-14(3,4)13(10)12-8-11(2)15-9-16-12/h11-12H,5-9H2,1-4H3.
What are the key properties of 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane?
6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane has a molecular weight of 240.41 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-1,3-oxathiane is sourced from PubChem (CID 20514297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).