6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid

C19H39NO4Si — CID 147257528

IUPAC6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid
SMILESC[Si](C)(C)CCCCC(N)(CCCCCC(=O)O)CCCCC(=O)O
InChIInChI=1S/C19H39NO4Si/c1-25(2,3)16-10-9-15-19(20,14-8-6-12-18(23)24)13-7-4-5-11-17(21)22/h4-16,20H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCNXLETALHYSTTL-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.87
Rot. Bonds16

About 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid

6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid (PubChem CID 147257528) has the molecular formula C19H39NO4Si and a molecular weight of 373.61 g/mol. Its IUPAC name is 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid.

Molecular Properties

Compound Name6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid
PubChem CID147257528
Molecular FormulaC19H39NO4Si
Molecular Weight373.61 g/mol
Exact Mass373.26
IUPAC Name6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid
SMILESC[Si](C)(C)CCCCC(N)(CCCCCC(=O)O)CCCCC(=O)O
InChIInChI=1S/C19H39NO4Si/c1-25(2,3)16-10-9-15-19(20,14-8-6-12-18(23)24)13-7-4-5-11-17(21)22/h4-16,20H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCNXLETALHYSTTL-UHFFFAOYSA-N
XLogP4.87
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.87
H-Bond Donors ≤ 53
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

6,6,6-triaminohexanoic acid
CID 131720979
27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
7,7-dimethyloctanoic acid;hafnium
CID 174685338
7,7-dimethyloctanoic acid;mercury
CID 159526990
14-hydroxy-14-methylpentadecanoic acid
CID 548142
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104
cerium;6,6-dimethylheptanoic acid;bis(8,8-dimethylnonanoic acid)
CID 56844010
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
alumane;7,7-dimethyloctanoic acid
CID 174339298
7,7-dimethyloctanoic acid;platinum
CID 174840120
methanol;tridecanedioic acid
CID 175511493

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid?
The IUPAC name of 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid (CID 147257528) is 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid.
What is the SMILES notation for 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid?
The canonical SMILES for 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid is C[Si](C)(C)CCCCC(N)(CCCCCC(=O)O)CCCCC(=O)O.
What is the InChIKey of 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid?
The InChIKey is CNXLETALHYSTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO4Si/c1-25(2,3)16-10-9-15-19(20,14-8-6-12-18(23)24)13-7-4-5-11-17(21)22/h4-16,20H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid?
6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid has a molecular weight of 373.61 g/mol, XLogP of 4.87, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid is sourced from PubChem (CID 147257528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).