1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol

C18H40O7Si — CID 123809255

IUPAC1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
SMILESCO[Si](CCCOCC(O)COC(C)(C)CCOC(C)(C)C)(OC)OC
InChIInChI=1S/C18H40O7Si/c1-17(2,3)24-12-10-18(4,5)25-15-16(19)14-23-11-9-13-26(20-6,21-7)22-8/h16,19H,9-15H2,1-8H3
InChIKeyAHOYIZKBDLURGO-UHFFFAOYSA-N
MW396.60 g/mol
LogP2.63
Rot. Bonds15

About 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol

1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol (PubChem CID 123809255) has the molecular formula C18H40O7Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
PubChem CID123809255
Molecular FormulaC18H40O7Si
Molecular Weight396.60 g/mol
Exact Mass396.25
IUPAC Name1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
SMILESCO[Si](CCCOCC(O)COC(C)(C)CCOC(C)(C)C)(OC)OC
InChIInChI=1S/C18H40O7Si/c1-17(2,3)24-12-10-18(4,5)25-15-16(19)14-23-11-9-13-26(20-6,21-7)22-8/h16,19H,9-15H2,1-8H3
InChIKeyAHOYIZKBDLURGO-UHFFFAOYSA-N
XLogP2.63
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The IUPAC name of 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol (CID 123809255) is 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The canonical SMILES for 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol is CO[Si](CCCOCC(O)COC(C)(C)CCOC(C)(C)C)(OC)OC.
What is the InChIKey of 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The InChIKey is AHOYIZKBDLURGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si/c1-17(2,3)24-12-10-18(4,5)25-15-16(19)14-23-11-9-13-26(20-6,21-7)22-8/h16,19H,9-15H2,1-8H3.
What are the key properties of 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol has a molecular weight of 396.60 g/mol, XLogP of 2.63, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-3-(3-trimethoxysilylpropoxy)propan-2-ol is sourced from PubChem (CID 123809255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).