4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene

C14H24S — CID 86219056

IUPAC4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
SMILESCC1CCCC2C3CCCC(C)C3SC12
InChIInChI=1S/C14H24S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h9-14H,3-8H2,1-2H3
InChIKeyWJHOQEQKSDMUIC-UHFFFAOYSA-N
MW224.41 g/mol
LogP4.34
Rot. Bonds

About 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene

4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene (PubChem CID 86219056) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene.

Molecular Properties

Compound Name4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
PubChem CID86219056
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
SMILESCC1CCCC2C3CCCC(C)C3SC12
InChIInChI=1S/C14H24S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h9-14H,3-8H2,1-2H3
InChIKeyWJHOQEQKSDMUIC-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene with MolForge

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Related Compounds

Dodecahydrodibenzothiophene
CID 14440857
4,6-Difluoro-3,7-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
CID 118136331
5-(Trifluoromethyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-5-ium
CID 140458193
Benzo[b]thiophene, octahydro-2-methyl (2alpha, 3abeta, 7abeta)-
CID 535099
2-Methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium
CID 5256278
Dodecahydro-dimethyldibenzothiophene
CID 176472696
5-Fluoro-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene
CID 44558396
7-Methyl-trans-8-thiabicyclo[4.3.0]nonane
CID 573235
2-Propyloctahydro-1-benzothiophene
CID 587940
8-n-Hexyl-cis-7-thiabicyclo[4.3.0]nonane
CID 588058
4,7-Ethanobenzo[c]thiophene, octahydro-, cis-
CID 597731
(2R,6S)-4-thiatricyclo[5.2.2.02,6]undecane
CID 22217387

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
The IUPAC name of 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene (CID 86219056) is 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene.
What is the SMILES notation for 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
The canonical SMILES for 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene is CC1CCCC2C3CCCC(C)C3SC12.
What is the InChIKey of 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
The InChIKey is WJHOQEQKSDMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h9-14H,3-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene has a molecular weight of 224.41 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene is sourced from PubChem (CID 86219056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).