1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene

C10H12O2 — CID 101034348

IUPAC1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1cc(OC)c(=C)cc1OC
InChIInChI=1S/C10H12O2/c1-7-5-10(12-4)8(2)6-9(7)11-3/h5-6H,1-2H2,3-4H3
InChIKeyIFLVWYRQVINFFV-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.52
Rot. Bonds2

About 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene

1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene (PubChem CID 101034348) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene
PubChem CID101034348
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1cc(OC)c(=C)cc1OC
InChIInChI=1S/C10H12O2/c1-7-5-10(12-4)8(2)6-9(7)11-3/h5-6H,1-2H2,3-4H3
InChIKeyIFLVWYRQVINFFV-UHFFFAOYSA-N
XLogP0.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
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1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2,3,7,8-tetramethoxytelluranthrene
CID 139265067
ethane;1-methoxy-2,4,5-trimethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene?
The IUPAC name of 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene (CID 101034348) is 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene is C=c1cc(OC)c(=C)cc1OC.
What is the InChIKey of 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene?
The InChIKey is IFLVWYRQVINFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-5-10(12-4)8(2)6-9(7)11-3/h5-6H,1-2H2,3-4H3.
What are the key properties of 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene?
1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene has a molecular weight of 164.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-3,6-dimethylidenecyclohexa-1,4-diene is sourced from PubChem (CID 101034348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).