1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene

C12H16 — CID 54528607

IUPAC1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1c(C)c(C)c(=C)c(C)c1C
InChIInChI=1S/C12H16/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1,6H2,2-5H3
InChIKeyYUXGPSNMSNFBEH-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.74
Rot. Bonds

About 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene

1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene (PubChem CID 54528607) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene
PubChem CID54528607
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1c(C)c(C)c(=C)c(C)c1C
InChIInChI=1S/C12H16/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1,6H2,2-5H3
InChIKeyYUXGPSNMSNFBEH-UHFFFAOYSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Farnesene
CID 5281516
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
alpha-Ocimene
CID 5320249
Sylveterpinolene
CID 524200
3,7,11-Trimethyl-1,3,6,10-dodecatetraene
CID 442368
alpha-Farnesene, (3Z,6Z)-
CID 5317320
4,8-Dimethyl-1,3,7-nonatriene
CID 103555
(2Z,4E,6E)-2,4,6,10-Farnesatetraene
CID 13717595
(Z)2,(E)4,(E)6-Allofarnesene
CID 6429217
cis-alpha-Ocimene
CID 5463455
Mentha-1,4,8-triene
CID 527141

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene?
The IUPAC name of 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene (CID 54528607) is 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene is C=c1c(C)c(C)c(=C)c(C)c1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene?
The InChIKey is YUXGPSNMSNFBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1,6H2,2-5H3.
What are the key properties of 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene?
1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene has a molecular weight of 160.26 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3,6-dimethylidenecyclohexa-1,4-diene is sourced from PubChem (CID 54528607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).