carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid

C38H97NO10Si4 — CID 157275748

IUPACcarbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid
SMILESC.C.C.C.C.C.CCC[Si](C)(CCCCC(=O)O)OC.CCC[Si](C)(CCCN)OC.CCC[Si](CCCC(C)C(=O)O)(OC)O[Si](C)(C)C.O=C=O
InChIInChI=1S/C13H30O4Si2.C10H22O3Si.C8H21NOSi.CO2.6CH4/c1-7-10-19(16-3,17-18(4,5)6)11-8-9-12(2)13(14)15;1-4-8-14(3,13-2)9-6-5-7-10(11)12;1-4-7-11(3,10-2)8-5-6-9;2-1-3;;;;;;/h12H,7-11H2,1-6H3,(H,14,15);4-9H2,1-3H3,(H,11,12);4-9H2,1-3H3;;6*1H4
InChIKeyAZBQHAWQPBWYOA-UHFFFAOYSA-N
MW840.53 g/mol
LogP11.91
Rot. Bonds24

About carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid

carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid (PubChem CID 157275748) has the molecular formula C38H97NO10Si4 and a molecular weight of 840.53 g/mol. Its IUPAC name is carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid.

Molecular Properties

Compound Namecarbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid
PubChem CID157275748
Molecular FormulaC38H97NO10Si4
Molecular Weight840.53 g/mol
Exact Mass839.62
IUPAC Namecarbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid
SMILESC.C.C.C.C.C.CCC[Si](C)(CCCCC(=O)O)OC.CCC[Si](C)(CCCN)OC.CCC[Si](CCCC(C)C(=O)O)(OC)O[Si](C)(C)C.O=C=O
InChIInChI=1S/C13H30O4Si2.C10H22O3Si.C8H21NOSi.CO2.6CH4/c1-7-10-19(16-3,17-18(4,5)6)11-8-9-12(2)13(14)15;1-4-8-14(3,13-2)9-6-5-7-10(11)12;1-4-7-11(3,10-2)8-5-6-9;2-1-3;;;;;;/h12H,7-11H2,1-6H3,(H,14,15);4-9H2,1-3H3,(H,11,12);4-9H2,1-3H3;;6*1H4
InChIKeyAZBQHAWQPBWYOA-UHFFFAOYSA-N
XLogP11.91
TPSA171.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.53
LogP ≤ 511.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid with MolForge

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Related Compounds

2-methylhenicosanedioic acid
CID 21286141
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
2-methylheptadecanoic acid;16-methylheptadecanoic acid
CID 158902500
5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid
CID 90193114
19-methoxy-18-methyl-19-oxononadecanoic acid
CID 89462442
4-aminobutanoic acid;(2S)-2-aminopentanoic acid
CID 18598089
pentan-1-amine;tetradecanoic acid
CID 174809000
decan-1-amine;dodecanoic acid
CID 173305256
hexadecanoic acid;pentan-1-amine
CID 161401164
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid?
The IUPAC name of carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid (CID 157275748) is carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid.
What is the SMILES notation for carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid?
The canonical SMILES for carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid is C.C.C.C.C.C.CCC[Si](C)(CCCCC(=O)O)OC.CCC[Si](C)(CCCN)OC.CCC[Si](CCCC(C)C(=O)O)(OC)O[Si](C)(C)C.O=C=O.
What is the InChIKey of carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid?
The InChIKey is AZBQHAWQPBWYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O4Si2.C10H22O3Si.C8H21NOSi.CO2.6CH4/c1-7-10-19(16-3,17-18(4,5)6)11-8-9-12(2)13(14)15;1-4-8-14(3,13-2)9-6-5-7-10(11)12;1-4-7-11(3,10-2)8-5-6-9;2-1-3;;;;;;/h12H,7-11H2,1-6H3,(H,14,15);4-9H2,1-3H3,(H,11,12);4-9H2,1-3H3;;6*1H4.
What are the key properties of carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid?
carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid has a molecular weight of 840.53 g/mol, XLogP of 11.91, 24 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methane;5-(methoxy-methyl-propylsilyl)pentanoic acid;3-(methoxy-methyl-propylsilyl)propan-1-amine;5-(methoxy-propyl-trimethylsilyloxysilyl)-2-methylpentanoic acid is sourced from PubChem (CID 157275748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).