1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine

C27H46N2 — CID 164855720

IUPAC1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine
SMILESC=C(C)CCCC.CC.CCc1ccc(CC)cc1.Cc1nnc(C)c(C)c1C
InChIInChI=1S/C10H14.C8H12N2.C7H14.C2H6/c1-3-9-5-7-10(4-2)8-6-9;1-5-6(2)8(4)10-9-7(5)3;1-4-5-6-7(2)3;1-2/h5-8H,3-4H2,1-2H3;1-4H3;2,4-6H2,1,3H3;1-2H3
InChIKeyPHVRBONJQXUISP-UHFFFAOYSA-N
MW398.68 g/mol
LogP8.30
Rot. Bonds5

About 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine

1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine (PubChem CID 164855720) has the molecular formula C27H46N2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine.

Molecular Properties

Compound Name1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine
PubChem CID164855720
Molecular FormulaC27H46N2
Molecular Weight398.68 g/mol
Exact Mass398.37
IUPAC Name1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine
SMILESC=C(C)CCCC.CC.CCc1ccc(CC)cc1.Cc1nnc(C)c(C)c1C
InChIInChI=1S/C10H14.C8H12N2.C7H14.C2H6/c1-3-9-5-7-10(4-2)8-6-9;1-5-6(2)8(4)10-9-7(5)3;1-4-5-6-7(2)3;1-2/h5-8H,3-4H2,1-2H3;1-4H3;2,4-6H2,1,3H3;1-2H3
InChIKeyPHVRBONJQXUISP-UHFFFAOYSA-N
XLogP8.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methylhex-1-ene
CID 158402499
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022
ethane;2-methylhept-1-ene
CID 143682307
ethane;2-methyloct-1-ene
CID 143077596
1,4-diethylbenzene;heptane
CID 175370860
1,4-diethylbenzene;ethane
CID 91207141
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;1-(4-ethylphenyl)ethenamine
CID 143067689
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
ethane;ethene;2-methylhex-1-ene;octane;6-pentylundecane
CID 177138791
ethane;4-(4-ethylphenyl)butanamide
CID 142203218

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine?
The IUPAC name of 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine (CID 164855720) is 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine.
What is the SMILES notation for 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine?
The canonical SMILES for 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine is C=C(C)CCCC.CC.CCc1ccc(CC)cc1.Cc1nnc(C)c(C)c1C.
What is the InChIKey of 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine?
The InChIKey is PHVRBONJQXUISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H12N2.C7H14.C2H6/c1-3-9-5-7-10(4-2)8-6-9;1-5-6(2)8(4)10-9-7(5)3;1-4-5-6-7(2)3;1-2/h5-8H,3-4H2,1-2H3;1-4H3;2,4-6H2,1,3H3;1-2H3.
What are the key properties of 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine?
1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine has a molecular weight of 398.68 g/mol, XLogP of 8.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;ethane;2-methylhex-1-ene;3,4,5,6-tetramethylpyridazine is sourced from PubChem (CID 164855720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).