2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane

C14H24S2 — CID 66827575

IUPAC2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane
SMILESCC1(C)CC(=C2SCCCS2)CC(C)(C)C1
InChIInChI=1S/C14H24S2/c1-13(2)8-11(9-14(3,4)10-13)12-15-6-5-7-16-12/h5-10H2,1-4H3
InChIKeyXOGFNYAKVDMZRW-UHFFFAOYSA-N
MW256.48 g/mol
LogP5.30
Rot. Bonds

About 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane

2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane (PubChem CID 66827575) has the molecular formula C14H24S2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane
PubChem CID66827575
Molecular FormulaC14H24S2
Molecular Weight256.48 g/mol
Exact Mass256.13
IUPAC Name2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane
SMILESCC1(C)CC(=C2SCCCS2)CC(C)(C)C1
InChIInChI=1S/C14H24S2/c1-13(2)8-11(9-14(3,4)10-13)12-15-6-5-7-16-12/h5-10H2,1-4H3
InChIKeyXOGFNYAKVDMZRW-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane
CID 134986582
2-(4-Pentylcyclohexylidene)-1,3-dithiane
CID 9943364
2-(4-Propylcyclohexylidene)-1,3-dithiane
CID 20802024
2-(4-Methylcyclohexylidene)-1,3-dithiane
CID 21057413
2-(7-Propylspiro[3.5]nonan-2-ylidene)-1,3-dithiane
CID 58596251
2-(4,4-Dimethylcyclohexylidene)-1,3-dithiane
CID 69220596
2-((3S,5R)-3,5-Dimethyl-cyclohexylidene)-[1,3]dithiane
CID 69223828
2-(3,5-Dimethylcyclohexylidene)-1,3-dithiane
CID 77624030
2-(3,3-Dimethylcyclohexylidene)-1,3-dithiane
CID 86681317
2-(7-Methylspiro[3.5]nonan-2-ylidene)-1,3-dithiane
CID 142902984
2-[(1S,3R)-1,3-dimethyl-2-methylidenecyclohexyl]-1,3-dithiane
CID 10633955
2-[(1R,3S)-1,3-dimethyl-2-methylidenecyclohexyl]-1,3-dithiane
CID 10728897

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane?
The IUPAC name of 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane (CID 66827575) is 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane.
What is the SMILES notation for 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane?
The canonical SMILES for 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane is CC1(C)CC(=C2SCCCS2)CC(C)(C)C1.
What is the InChIKey of 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane?
The InChIKey is XOGFNYAKVDMZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S2/c1-13(2)8-11(9-14(3,4)10-13)12-15-6-5-7-16-12/h5-10H2,1-4H3.
What are the key properties of 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane?
2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane has a molecular weight of 256.48 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane is sourced from PubChem (CID 66827575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).