2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide

C11H18O2S — CID 91116543

IUPAC2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide
SMILESCC=C1C(=C(C)C)C(C)(C)CS1(=O)=O
InChIInChI=1S/C11H18O2S/c1-6-9-10(8(2)3)11(4,5)7-14(9,12)13/h6H,7H2,1-5H3
InChIKeyKXEDODXNPOJXQD-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.68
Rot. Bonds

About 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide

2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide (PubChem CID 91116543) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide.

Molecular Properties

Compound Name2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide
PubChem CID91116543
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide
SMILESCC=C1C(=C(C)C)C(C)(C)CS1(=O)=O
InChIInChI=1S/C11H18O2S/c1-6-9-10(8(2)3)11(4,5)7-14(9,12)13/h6H,7H2,1-5H3
InChIKeyKXEDODXNPOJXQD-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-Butyl-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 13694643
3,4-Ditert-butyl-2,5-dihydrothiophene 1,1-dioxide
CID 316262
Thiophene, 2,3-bis(1,1-dimethylethyl)-, 1,1-dioxide
CID 546499
3,4-Ditert-butyl-2-methylthiophene 1,1-dioxide
CID 85674429
3,5-Ditert-butyl-2-methylthiophene 1,1-dioxide
CID 85674430
Thiophene, 2,4-bis(1,1-dimethylethyl)-, 1,1-dioxide
CID 12214983
5-methyl-5-(3-methylbut-2-enyl)-2H-thiophene 1,1-dioxide
CID 53750253
3,4-ditert-butyl-2H-thiopyran 1,1-dioxide
CID 57531848
2,3-Di(propan-2-yl)thiophene 1,1-dioxide
CID 58478731
2,3-Ditert-butylthiophene 1-oxide
CID 58913764
6-Tert-butyl-3a,7a-dihydro-1-benzothiophene 1,1-dioxide
CID 59008537
2,3-Ditert-butyl-1-methylidenethiophene 1-oxide
CID 59981916

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide?
The IUPAC name of 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide (CID 91116543) is 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide.
What is the SMILES notation for 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide?
The canonical SMILES for 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide is CC=C1C(=C(C)C)C(C)(C)CS1(=O)=O.
What is the InChIKey of 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide?
The InChIKey is KXEDODXNPOJXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-6-9-10(8(2)3)11(4,5)7-14(9,12)13/h6H,7H2,1-5H3.
What are the key properties of 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide?
2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide has a molecular weight of 214.33 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-4,4-dimethyl-3-propan-2-ylidenethiolane 1,1-dioxide is sourced from PubChem (CID 91116543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).