propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)

C76H102 — CID 159444581

IUPACpropane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)
SMILESCCC.CCC.Cc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/2C14H16.C10H14.4C8H10.2C3H8/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;4*1-7-5-3-4-6-8(7)2;2*1-3-2/h2*5-8H,1-4H3;5-6H,1-4H3;4*3-6H,1-2H3;2*3H2,1-2H3
InChIKeyLSPKIXOFTYIYQC-UHFFFAOYSA-N
MW1015.65 g/mol
LogP23.11
Rot. Bonds

About propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)

propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene) (PubChem CID 159444581) has the molecular formula C76H102 and a molecular weight of 1015.65 g/mol. Its IUPAC name is propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene).

Molecular Properties

Compound Namepropane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)
PubChem CID159444581
Molecular FormulaC76H102
Molecular Weight1015.65 g/mol
Exact Mass1014.80
IUPAC Namepropane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)
SMILESCCC.CCC.Cc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/2C14H16.C10H14.4C8H10.2C3H8/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;4*1-7-5-3-4-6-8(7)2;2*1-3-2/h2*5-8H,1-4H3;5-6H,1-4H3;4*3-6H,1-2H3;2*3H2,1-2H3
InChIKeyLSPKIXOFTYIYQC-UHFFFAOYSA-N
XLogP23.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.65
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)?
The IUPAC name of propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene) (CID 159444581) is propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene).
What is the SMILES notation for propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)?
The canonical SMILES for propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene) is CCC.CCC.Cc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.
What is the InChIKey of propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)?
The InChIKey is LSPKIXOFTYIYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.C10H14.4C8H10.2C3H8/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;4*1-7-5-3-4-6-8(7)2;2*1-3-2/h2*5-8H,1-4H3;5-6H,1-4H3;4*3-6H,1-2H3;2*3H2,1-2H3.
What are the key properties of propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)?
propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene) has a molecular weight of 1015.65 g/mol, XLogP of 23.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene) is sourced from PubChem (CID 159444581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).