(4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane

C19H28O5Si2 — CID 173363125

IUPAC(4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane
SMILESCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C[SiH2]O[SiH3]
InChIInChI=1S/C18H20O4.CH8OSi2/c1-3-4-13-21-16-7-5-14(6-8-16)18(19)22-17-11-9-15(20-2)10-12-17;1-4-2-3/h5-12H,3-4,13H2,1-2H3;4H2,1,3H3
InChIKeyRDNPAKBMAZBULF-UHFFFAOYSA-N
MW392.60 g/mol
LogP2.51
Rot. Bonds8

About (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane

(4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane (PubChem CID 173363125) has the molecular formula C19H28O5Si2 and a molecular weight of 392.60 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane
PubChem CID173363125
Molecular FormulaC19H28O5Si2
Molecular Weight392.60 g/mol
Exact Mass392.15
IUPAC Name(4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane
SMILESCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C[SiH2]O[SiH3]
InChIInChI=1S/C18H20O4.CH8OSi2/c1-3-4-13-21-16-7-5-14(6-8-16)18(19)22-17-11-9-15(20-2)10-12-17;1-4-2-3/h5-12H,3-4,13H2,1-2H3;4H2,1,3H3
InChIKeyRDNPAKBMAZBULF-UHFFFAOYSA-N
XLogP2.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479
(4-methoxyphenyl) 4-hexadecoxybenzoate
CID 4038467
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
(4-decoxyphenyl) 4-[7-[4-(4-decoxyphenoxy)carbonylphenoxy]heptoxy]benzoate
CID 102342037
[4-(4-undecoxybenzoyl)oxyphenyl] 4-undecoxybenzoate
CID 101367520
(4-heptoxyphenyl) 4-heptoxybenzoate
CID 71365288
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275
(4-pentoxyphenyl) 4-hexoxybenzoate
CID 86218202
(4-hexoxyphenyl) 4-nonoxybenzoate
CID 14993431
(4-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
(4-methoxyphenyl) 4-(6-methoxyhexoxy)benzoate
CID 142377359

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane?
The IUPAC name of (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane (CID 173363125) is (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane.
What is the SMILES notation for (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane?
The canonical SMILES for (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane is CCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C[SiH2]O[SiH3].
What is the InChIKey of (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane?
The InChIKey is RDNPAKBMAZBULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4.CH8OSi2/c1-3-4-13-21-16-7-5-14(6-8-16)18(19)22-17-11-9-15(20-2)10-12-17;1-4-2-3/h5-12H,3-4,13H2,1-2H3;4H2,1,3H3.
What are the key properties of (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane?
(4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane has a molecular weight of 392.60 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane is sourced from PubChem (CID 173363125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).