3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane

C20H44O3Si — CID 159916386

IUPAC3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane
SMILESC.CCCO[Si](CCCOC(=O)C(C)(C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O3Si.CH4/c1-10-12-22-23(16(4)5,17(6)7)14-11-13-21-18(20)19(8,9)15(2)3;/h15-17H,10-14H2,1-9H3;1H4
InChIKeyNXVIRUUJXDKNFF-UHFFFAOYSA-N
MW360.66 g/mol
LogP6.43
Rot. Bonds11

About 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane

3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane (PubChem CID 159916386) has the molecular formula C20H44O3Si and a molecular weight of 360.66 g/mol. Its IUPAC name is 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane.

Molecular Properties

Compound Name3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane
PubChem CID159916386
Molecular FormulaC20H44O3Si
Molecular Weight360.66 g/mol
Exact Mass360.31
IUPAC Name3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane
SMILESC.CCCO[Si](CCCOC(=O)C(C)(C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O3Si.CH4/c1-10-12-22-23(16(4)5,17(6)7)14-11-13-21-18(20)19(8,9)15(2)3;/h15-17H,10-14H2,1-9H3;1H4
InChIKeyNXVIRUUJXDKNFF-UHFFFAOYSA-N
XLogP6.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.66
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibutyl 2-butyl-2-propan-2-ylpropanedioate
CID 57179472
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
4-aminopentyl 3-amino-2,2-dimethylbutanoate
CID 163464573
carboxymethyl-dimethyl-[2-(2,2,3-trimethylbutanoyloxy)ethyl]azanium
CID 59753071
pentyl 2-methyl-2-sulfanylpropanoate
CID 87712895
16-methylheptadecyl 2,2,3-trimethylhexanoate
CID 19704601
didecyl 3,12-didecyl-2,2,13,13-tetramethyltetradecanedioate
CID 140868250
butyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
CID 151232274
3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
CID 89023482
3-butoxycarbonyl-3,4-dimethylpentanoic acid
CID 126712682
butyl 3-amino-2,2-dimethylheptadecanoate
CID 88632153
butyl 2-butyl-2-propan-2-ylhexanoate
CID 175170157

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane?
The IUPAC name of 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane (CID 159916386) is 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane.
What is the SMILES notation for 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane?
The canonical SMILES for 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane is C.CCCO[Si](CCCOC(=O)C(C)(C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane?
The InChIKey is NXVIRUUJXDKNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si.CH4/c1-10-12-22-23(16(4)5,17(6)7)14-11-13-21-18(20)19(8,9)15(2)3;/h15-17H,10-14H2,1-9H3;1H4.
What are the key properties of 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane?
3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane has a molecular weight of 360.66 g/mol, XLogP of 6.43, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)-propoxysilyl]propyl 2,2,3-trimethylbutanoate;methane is sourced from PubChem (CID 159916386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).