1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane

C18H24O5 — CID 69331067

IUPAC1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane
SMILESCOC(OC)OC(OC)OC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H14O5/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5(8-2)11-6(9-3)10-4/h1-10H;5-6H,1-4H3
InChIKeyHVCYTRIOOAAZJP-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.51
Rot. Bonds7

About 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane

1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane (PubChem CID 69331067) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane.

Molecular Properties

Compound Name1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane
PubChem CID69331067
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane
SMILESCOC(OC)OC(OC)OC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H14O5/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5(8-2)11-6(9-3)10-4/h1-10H;5-6H,1-4H3
InChIKeyHVCYTRIOOAAZJP-UHFFFAOYSA-N
XLogP3.51
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane?
The IUPAC name of 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane (CID 69331067) is 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane.
What is the SMILES notation for 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane?
The canonical SMILES for 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane is COC(OC)OC(OC)OC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane?
The InChIKey is HVCYTRIOOAAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H14O5/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5(8-2)11-6(9-3)10-4/h1-10H;5-6H,1-4H3.
What are the key properties of 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane?
1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane has a molecular weight of 320.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane is sourced from PubChem (CID 69331067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).