4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane

C12H20OS — CID 70546085

IUPAC4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane
SMILESCC1CC(C2CC=CCC2)SC(C)O1
InChIInChI=1S/C12H20OS/c1-9-8-12(14-10(2)13-9)11-6-4-3-5-7-11/h3-4,9-12H,5-8H2,1-2H3
InChIKeyLGCBIQWXGRTOBT-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds1

About 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane

4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane (PubChem CID 70546085) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane
PubChem CID70546085
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane
SMILESCC1CC(C2CC=CCC2)SC(C)O1
InChIInChI=1S/C12H20OS/c1-9-8-12(14-10(2)13-9)11-6-4-3-5-7-11/h3-4,9-12H,5-8H2,1-2H3
InChIKeyLGCBIQWXGRTOBT-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohex-3-en-1-yl-2,6-dimethyl-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

Related Compounds

2-Methoxyhexahydrothiochromene
CID 129771889
6-Ethoxy-9-thia-bicyclo[3.3.1]non-2-ene
CID 559168
2-(2,4-Dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-oxathiane
CID 18539811
2,6-Dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)-1,3-oxathiane
CID 20514296
4-Cyclohex-3-en-1-yl-6-methyl-1,3-oxathiane
CID 20514299
6-Methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)-1,3-oxathiane
CID 20514313
4,4-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-oxathiane
CID 20582808
4,4-Dimethyl-2-[2-(4-methylcyclohex-3-en-1-yl)propyl]-1,3-oxathiane
CID 20582809
5-[(1R)-cyclohex-3-en-1-yl]-7-hexyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
CID 68274438
1,4a,5,6a,7,10,10a,10b-Octahydrothiopyrano[2,3-c]chromene
CID 69154313
2-[2-(2-Methylsulfanylethyl)hex-4-enyl]oxolane
CID 70455939
2-[2-(2-Methylsulfanylethyl)hex-3-enyl]oxolane
CID 70455942

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane?
The IUPAC name of 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane (CID 70546085) is 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane?
The canonical SMILES for 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane is CC1CC(C2CC=CCC2)SC(C)O1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane?
The InChIKey is LGCBIQWXGRTOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-9-8-12(14-10(2)13-9)11-6-4-3-5-7-11/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane?
4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane has a molecular weight of 212.36 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,3-oxathiane is sourced from PubChem (CID 70546085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).