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

C22H40 — CID 67330757

IUPAC1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
SMILESCCCC1=C(CCC)C(C)(CCC)C(C)(CCC)C(C)=C1C
InChIInChI=1S/C22H40/c1-9-13-19-17(5)18(6)21(7,15-11-3)22(8,16-12-4)20(19)14-10-2/h9-16H2,1-8H3
InChIKeyHWEBRXLZUFEVQX-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.85
Rot. Bonds8

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

1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene (PubChem CID 67330757) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
PubChem CID67330757
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
SMILESCCCC1=C(CCC)C(C)(CCC)C(C)(CCC)C(C)=C1C
InChIInChI=1S/C22H40/c1-9-13-19-17(5)18(6)21(7,15-11-3)22(8,16-12-4)20(19)14-10-2/h9-16H2,1-8H3
InChIKeyHWEBRXLZUFEVQX-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trimethyl-(1,2,3,4,5-pentapropylcyclopenta-2,4-dien-1-yl)silane
CID 156896873
1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene
CID 173063942
5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene
CID 10246100
3,3-dichloro-1,2-dipropylcyclopropene
CID 134877644
1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene
CID 22664471
3a,4,5,6-tetrapropyl-1,7a-dihydroindene
CID 102576699
(1-methyl-5-propylpyrrol-2-yl)methanol
CID 100793005
(1Z,4Z,6S,8R)-1,2,3,3,4,5,6,7,8-nonapropylcycloocta-1,4-diene
CID 173419999
5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one
CID 46848658
5-cyclopenta-2,4-dien-1-yl-1,2,4,5-tetrapropyl-3-(1,2,3-tripropylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
CID 141122196
4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen
CID 177333025
2-methyl-3-propylnaphthalene-1,4-dione
CID 12765187

Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene?
The IUPAC name of 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene (CID 67330757) is 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene is CCCC1=C(CCC)C(C)(CCC)C(C)(CCC)C(C)=C1C.
What is the InChIKey of 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene?
The InChIKey is HWEBRXLZUFEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-9-13-19-17(5)18(6)21(7,15-11-3)22(8,16-12-4)20(19)14-10-2/h9-16H2,1-8H3.
What are the key properties of 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene?
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene has a molecular weight of 304.56 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene is sourced from PubChem (CID 67330757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).