5-ethenyl-4-ethyl-4-propan-2-yldithiane

C11H20S2 — CID 169266938

IUPAC5-ethenyl-4-ethyl-4-propan-2-yldithiane
SMILESC=CC1CSSCC1(CC)C(C)C
InChIInChI=1S/C11H20S2/c1-5-10-7-12-13-8-11(10,6-2)9(3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyZGQIEXWRXJCPTL-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.24
Rot. Bonds3

About 5-ethenyl-4-ethyl-4-propan-2-yldithiane

5-ethenyl-4-ethyl-4-propan-2-yldithiane (PubChem CID 169266938) has the molecular formula C11H20S2 and a molecular weight of 216.41 g/mol. Its IUPAC name is 5-ethenyl-4-ethyl-4-propan-2-yldithiane.

Molecular Properties

Compound Name5-ethenyl-4-ethyl-4-propan-2-yldithiane
PubChem CID169266938
Molecular FormulaC11H20S2
Molecular Weight216.41 g/mol
Exact Mass216.10
IUPAC Name5-ethenyl-4-ethyl-4-propan-2-yldithiane
SMILESC=CC1CSSCC1(CC)C(C)C
InChIInChI=1S/C11H20S2/c1-5-10-7-12-13-8-11(10,6-2)9(3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyZGQIEXWRXJCPTL-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Ethyl-3,3-dimethylbutylidene)-1,3-dithiane
CID 134986525
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
1-[4,4-Bis(1-sulfanylprop-2-enyl)trithian-5-yl]prop-2-ene-1-thiol
CID 87879217
4-[(Butyldisulfanyl)methyl]-4-ethylhex-1-ene
CID 90205955
4-Propan-2-yl-5-prop-2-enyldithiane
CID 126593702
(E)-1-(tert-butyldisulfanyl)-4,4-dimethylhept-1-ene
CID 138606372
(3R)-2,3,4,4-tetramethyl-2,3-dihydrothiopyran
CID 141795742
3-Tert-butyl-2,3-dimethylpent-4-enethial
CID 155297348

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-ethyl-4-propan-2-yldithiane?
The IUPAC name of 5-ethenyl-4-ethyl-4-propan-2-yldithiane (CID 169266938) is 5-ethenyl-4-ethyl-4-propan-2-yldithiane.
What is the SMILES notation for 5-ethenyl-4-ethyl-4-propan-2-yldithiane?
The canonical SMILES for 5-ethenyl-4-ethyl-4-propan-2-yldithiane is C=CC1CSSCC1(CC)C(C)C.
What is the InChIKey of 5-ethenyl-4-ethyl-4-propan-2-yldithiane?
The InChIKey is ZGQIEXWRXJCPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S2/c1-5-10-7-12-13-8-11(10,6-2)9(3)4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 5-ethenyl-4-ethyl-4-propan-2-yldithiane?
5-ethenyl-4-ethyl-4-propan-2-yldithiane has a molecular weight of 216.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-ethyl-4-propan-2-yldithiane is sourced from PubChem (CID 169266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).