4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane

C13H22S — CID 6428491

IUPAC4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane
SMILESCCC1C2CC3CC1SC(C2)C3CC
InChIInChI=1S/C13H22S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h8-13H,3-7H2,1-2H3
InChIKeyHMDMYPGLMLNKOS-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.95
Rot. Bonds2

About 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane

4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane (PubChem CID 6428491) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane
PubChem CID6428491
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane
SMILESCCC1C2CC3CC1SC(C2)C3CC
InChIInChI=1S/C13H22S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h8-13H,3-7H2,1-2H3
InChIKeyHMDMYPGLMLNKOS-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Thiaadamantane
CID 136105
1-Methyl-2 thiaadamantane
CID 74407407
1,3-Dimethyl-2-thiaadamantane
CID 129773359
1,5-Dimethyl-2-thiaadamantane
CID 129773363
(+)-1,5,5-Trimethyl-2-thiabicyclo[2.2.2]octane
CID 86846
3,3,6-Trimethyl-2-thiabicyclo[2.2.2]octane
CID 163075061
4-Methyl-2-thiaadamantane
CID 6427691
4,8-Dibutyl-2-thiaadamantane
CID 6428489
4,8-Dimethyl-2-thiaadamantane
CID 6428493
4,8-Dipropyl-2-thiaadamantane
CID 6428494
4,8-Dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
CID 20583873
3,4,8-Trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
CID 20583875

Frequently Asked Questions

What is the IUPAC name of 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane?
The IUPAC name of 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane (CID 6428491) is 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane is CCC1C2CC3CC1SC(C2)C3CC.
What is the InChIKey of 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane?
The InChIKey is HMDMYPGLMLNKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h8-13H,3-7H2,1-2H3.
What are the key properties of 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane?
4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane has a molecular weight of 210.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-2-thiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 6428491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).