(2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane

C13H20O2S — CID 123763747

IUPAC(2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane
SMILESC=c1c(OC)cc(OC)c(S(C)(C)C)c1=C
InChIInChI=1S/C13H20O2S/c1-9-10(2)13(16(5,6)7)12(15-4)8-11(9)14-3/h8H,1-2H2,3-7H3
InChIKeyNQJPMVQLDCIKBS-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.58
Rot. Bonds3

About (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane

(2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane (PubChem CID 123763747) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane
PubChem CID123763747
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane
SMILESC=c1c(OC)cc(OC)c(S(C)(C)C)c1=C
InChIInChI=1S/C13H20O2S/c1-9-10(2)13(16(5,6)7)12(15-4)8-11(9)14-3/h8H,1-2H2,3-7H3
InChIKeyNQJPMVQLDCIKBS-UHFFFAOYSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethenyl-4,5-dimethoxy-1-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 89335898
(4-Methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-lambda4-sulfane
CID 123876430
[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-lambda4-sulfane
CID 126692513
1-(4-Methoxy-6,7-dihydronaphthalen-1-yl)thiolan-1-ium
CID 140711598
(4-Butoxy-6,7-dihydronaphthalen-1-yl)-diethylsulfanium
CID 144113289
1-Iodo-1-(4-methoxy-6,7-dihydronaphthalen-1-yl)thiolane
CID 154946679
4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran
CID 166546429
4,8-dimethyl-5-methylsulfanyl-3,7-dihydro-2H-1-benzoxepin-7-ide;ethane;vanadium
CID 176919971
2-(1-Ethoxyethenyl)-3-(2-methylsulfanylethoxymethyl)cyclohexa-1,3-diene
CID 177213936

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane (CID 123763747) is (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane is C=c1c(OC)cc(OC)c(S(C)(C)C)c1=C.
What is the InChIKey of (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane?
The InChIKey is NQJPMVQLDCIKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-9-10(2)13(16(5,6)7)12(15-4)8-11(9)14-3/h8H,1-2H2,3-7H3.
What are the key properties of (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane?
(2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane has a molecular weight of 240.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 123763747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).