(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane

C26H37O7P — CID 146450949

IUPAC(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane
SMILESCC(CP)CC(C)(C)C.COc1cccc(OC)c1C(=O)OC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C18H18O7.C8H19P/c1-21-11-7-5-8-12(22-2)15(11)17(19)25-18(20)16-13(23-3)9-6-10-14(16)24-4;1-7(6-9)5-8(2,3)4/h5-10H,1-4H3;7H,5-6,9H2,1-4H3
InChIKeyTVTLXJPWLFHWQR-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.65
Rot. Bonds8

About (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane

(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane (PubChem CID 146450949) has the molecular formula C26H37O7P and a molecular weight of 492.55 g/mol. Its IUPAC name is (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane.

Molecular Properties

Compound Name(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane
PubChem CID146450949
Molecular FormulaC26H37O7P
Molecular Weight492.55 g/mol
Exact Mass492.23
IUPAC Name(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane
SMILESCC(CP)CC(C)(C)C.COc1cccc(OC)c1C(=O)OC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C18H18O7.C8H19P/c1-21-11-7-5-8-12(22-2)15(11)17(19)25-18(20)16-13(23-3)9-6-10-14(16)24-4;1-7(6-9)5-8(2,3)4/h5-10H,1-4H3;7H,5-6,9H2,1-4H3
InChIKeyTVTLXJPWLFHWQR-UHFFFAOYSA-N
XLogP5.65
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 26967458
acetyl 2,6-dimethoxybenzoate
CID 57154954
[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
CID 164973475
propyl 2-(2,6-dimethoxybenzoyl)-4,6,6-trimethylheptanoate
CID 22183569
2-methylpropyl 2-(2,6-dimethoxybenzoyl)-4,6,6-trimethylheptanoate;oxophosphanium
CID 160617997
oxophosphanium;2,4,4-trimethylpentyl 3-(2,6-dimethoxyphenyl)-3-oxo-2-phenylpropanoate
CID 158116368
[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone
CID 141389570
[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513587
2,4,4-trimethylpentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18514795
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
[2-(2,6-dimethoxybenzoyl)-1-(2,6-dimethoxyphenyl)-3,5,5-trimethyl-1-oxohexan-2-yl] dihydrogen phosphate;hydrate
CID 69203582
CID 162326255
CID 162326255

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane?
The IUPAC name of (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane (CID 146450949) is (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane.
What is the SMILES notation for (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane?
The canonical SMILES for (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane is CC(CP)CC(C)(C)C.COc1cccc(OC)c1C(=O)OC(=O)c1c(OC)cccc1OC.
What is the InChIKey of (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane?
The InChIKey is TVTLXJPWLFHWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7.C8H19P/c1-21-11-7-5-8-12(22-2)15(11)17(19)25-18(20)16-13(23-3)9-6-10-14(16)24-4;1-7(6-9)5-8(2,3)4/h5-10H,1-4H3;7H,5-6,9H2,1-4H3.
What are the key properties of (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane?
(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane has a molecular weight of 492.55 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane is sourced from PubChem (CID 146450949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).