benzene;methoxymethane;methyl acetate;propane

C78H128O10 — CID 158395131

IUPACbenzene;methoxymethane;methyl acetate;propane
SMILESCCC.CCC.CCC.CCC.COC.COC.COC.COC.COC.COC.COC(C)=O.COC(C)=O.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C6H6.2C3H6O2.4C3H8.6C2H6O/c8*1-2-4-6-5-3-1;2*1-3(4)5-2;10*1-3-2/h8*1-6H;2*1-2H3;4*3H2,1-2H3;6*1-2H3
InChIKeyGXLMGUWJJRLUBR-UHFFFAOYSA-N
MW1225.87 g/mol
LogP21.09
Rot. Bonds

About benzene;methoxymethane;methyl acetate;propane

benzene;methoxymethane;methyl acetate;propane (PubChem CID 158395131) has the molecular formula C78H128O10 and a molecular weight of 1225.87 g/mol. Its IUPAC name is benzene;methoxymethane;methyl acetate;propane.

Molecular Properties

Compound Namebenzene;methoxymethane;methyl acetate;propane
PubChem CID158395131
Molecular FormulaC78H128O10
Molecular Weight1225.87 g/mol
Exact Mass1224.95
IUPAC Namebenzene;methoxymethane;methyl acetate;propane
SMILESCCC.CCC.CCC.CCC.COC.COC.COC.COC.COC.COC.COC(C)=O.COC(C)=O.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C6H6.2C3H6O2.4C3H8.6C2H6O/c8*1-2-4-6-5-3-1;2*1-3(4)5-2;10*1-3-2/h8*1-6H;2*1-2H3;4*3H2,1-2H3;6*1-2H3
InChIKeyGXLMGUWJJRLUBR-UHFFFAOYSA-N
XLogP21.09
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.87
LogP ≤ 521.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Bis(acetato-O-)triphenylantimony
CID 16683106
Ethynylenebis(carbonyloxy)bis(triphenylstannane
CID 16683418
Tetraphenylantimony acetate
CID 16699436
Bis(triphenylphosphine)palladium(II) diacetate
CID 10865532
Acetic acid;palladium;triphenylphosphane
CID 54587876
Chlorotris(triphenylphosphine)ruthenium(II) acetate
CID 117065006
Bis(triphenylphosphinepalladium) acetate
CID 84538
Acetic acid;chlororuthenium;tris(triphenylphosphane)
CID 172641403
(Z)-but-2-enedioate;bis(triphenylstannanylium)
CID 70463220
Tetraphenylphosphanium acetate
CID 21922349
3,6-Dioxo-1,1,1,8,8,8-hexaphenyl-2,7-dioxa-1,8-distannaoctane
CID 16683315
Chlororuthenium(1+);tris(triphenylphosphane);acetate
CID 138114915

Frequently Asked Questions

What is the IUPAC name of benzene;methoxymethane;methyl acetate;propane?
The IUPAC name of benzene;methoxymethane;methyl acetate;propane (CID 158395131) is benzene;methoxymethane;methyl acetate;propane.
What is the SMILES notation for benzene;methoxymethane;methyl acetate;propane?
The canonical SMILES for benzene;methoxymethane;methyl acetate;propane is CCC.CCC.CCC.CCC.COC.COC.COC.COC.COC.COC.COC(C)=O.COC(C)=O.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;methoxymethane;methyl acetate;propane?
The InChIKey is GXLMGUWJJRLUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/8C6H6.2C3H6O2.4C3H8.6C2H6O/c8*1-2-4-6-5-3-1;2*1-3(4)5-2;10*1-3-2/h8*1-6H;2*1-2H3;4*3H2,1-2H3;6*1-2H3.
What are the key properties of benzene;methoxymethane;methyl acetate;propane?
benzene;methoxymethane;methyl acetate;propane has a molecular weight of 1225.87 g/mol, XLogP of 21.09, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methoxymethane;methyl acetate;propane is sourced from PubChem (CID 158395131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).