2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane

C12H22S2 — CID 134986525

IUPAC2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane
SMILESCCC(C=C1SCCCS1)C(C)(C)C
InChIInChI=1S/C12H22S2/c1-5-10(12(2,3)4)9-11-13-7-6-8-14-11/h9-10H,5-8H2,1-4H3
InChIKeyFWZSDYZRYCMTTN-UHFFFAOYSA-N
MW230.44 g/mol
LogP4.77
Rot. Bonds2

About 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane

2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane (PubChem CID 134986525) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane
PubChem CID134986525
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane
SMILESCCC(C=C1SCCCS1)C(C)(C)C
InChIInChI=1S/C12H22S2/c1-5-10(12(2,3)4)9-11-13-7-6-8-14-11/h9-10H,5-8H2,1-4H3
InChIKeyFWZSDYZRYCMTTN-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Methyl-2-prop-1-en-2-ylcyclopropyl)methylidene]-1,3-dithiane
CID 10656883
3,3-di(propan-2-yl)-2H-thiophene
CID 58055896
3,3-Di(propan-2-yl)-2,4-dihydrothiopyran
CID 58055924
4,4-Di(propan-2-yl)-2,3-dihydrothiopyran
CID 58055974
4-tert-butyl-3,4-dihydro-2H-thiopyran
CID 58408014
3-Methyl-3-propan-2-yl-2,4-dihydrothiopyran
CID 68060335
4-Methyl-4-propan-2-yl-2,3-dihydrothiopyran
CID 68060340
(Z)-1-(2,3-dimethylpentan-3-ylsulfanyl)-3,3-dimethylpent-1-ene
CID 88244992
2-(6,6-Dimethyl-1-bicyclo[3.1.1]hepta-2,3-dienyl)-1,3-dithiane
CID 88721948
3,3,4-Trimethyl-6-propylsulfanylhex-1-ene
CID 91011237
(3R)-2,3,4,4-tetramethyl-2,3-dihydrothiopyran
CID 141795742
5-Ethenyl-4-ethyl-4-propan-2-yldithiane
CID 169266938

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane?
The IUPAC name of 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane (CID 134986525) is 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane.
What is the SMILES notation for 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane?
The canonical SMILES for 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane is CCC(C=C1SCCCS1)C(C)(C)C.
What is the InChIKey of 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane?
The InChIKey is FWZSDYZRYCMTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-5-10(12(2,3)4)9-11-13-7-6-8-14-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane?
2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane has a molecular weight of 230.44 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3,3-dimethylbutylidene)-1,3-dithiane is sourced from PubChem (CID 134986525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).