2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane

C12H18S2 — CID 611215

IUPAC2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane
SMILESCC1(C)C=CC(=C2SCCCS2)CC1
InChIInChI=1S/C12H18S2/c1-12(2)6-4-10(5-7-12)11-13-8-3-9-14-11/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKGAYAUBAPIJUBJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.44
Rot. Bonds

About 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane

2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane (PubChem CID 611215) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane
PubChem CID611215
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Name2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane
SMILESCC1(C)C=CC(=C2SCCCS2)CC1
InChIInChI=1S/C12H18S2/c1-12(2)6-4-10(5-7-12)11-13-8-3-9-14-11/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKGAYAUBAPIJUBJ-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1,5-dimethyl-6-methylidene-5-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 15363518
1-[(3,3-Dimethylcyclohexen-1-yl)methyl]-1,3-dithian-1-ium
CID 86241907
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dithiane
CID 101990154
Bis(1,3,5-trimethylbenzylthio)ethane
CID 129819088
2-(1,4,4-Trimethylcyclohex-2-enyl)[1,3]dithiane
CID 577124
9-Ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
CID 10402341
9-Ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene
CID 10426441
8-ethylsulfanyl-5,5-dimethyl-1H-naphthalene
CID 88381496
(2S)-2-methyl-3-(3-methylpentan-3-yl)-2H-thiopyran
CID 130224630
1-(4-Tert-butylcyclohexa-1,3-dien-1-yl)thian-1-ium
CID 140617670
(5R)-1-tert-butyl-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 142057292
[(1R)-5-tert-butylcyclohexa-2,4-dien-1-yl]-ethyl-dimethyl-lambda4-sulfane
CID 142057314

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane?
The IUPAC name of 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane (CID 611215) is 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane.
What is the SMILES notation for 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane?
The canonical SMILES for 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane is CC1(C)C=CC(=C2SCCCS2)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane?
The InChIKey is KGAYAUBAPIJUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S2/c1-12(2)6-4-10(5-7-12)11-13-8-3-9-14-11/h4,6H,3,5,7-9H2,1-2H3.
What are the key properties of 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane?
2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane has a molecular weight of 226.41 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohex-2-en-1-ylidene)-1,3-dithiane is sourced from PubChem (CID 611215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).