2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid

C19H40O3Si — CID 25213691

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
SMILESCCCCCCCCCCC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H40O3Si/c1-7-8-9-10-11-12-13-14-15-17(18(20)21)16-22-23(5,6)19(2,3)4/h17H,7-16H2,1-6H3,(H,20,21)
InChIKeyCMMLOYQZDRPGMI-UHFFFAOYSA-N
MW344.61 g/mol
LogP6.24
Rot. Bonds13

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid (PubChem CID 25213691) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
PubChem CID25213691
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
SMILESCCCCCCCCCCC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H40O3Si/c1-7-8-9-10-11-12-13-14-15-17(18(20)21)16-22-23(5,6)19(2,3)4/h17H,7-16H2,1-6H3,(H,20,21)
InChIKeyCMMLOYQZDRPGMI-UHFFFAOYSA-N
XLogP6.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
2-bromooctoxy-tert-butyl-dimethylsilane
CID 19708690
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-dodecyloctacosanoic acid
CID 90897371
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-nonylpentadecanoic acid
CID 139605044
2-hexylpentacosanoic acid
CID 158257677

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid (CID 25213691) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid is CCCCCCCCCCC(CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid?
The InChIKey is CMMLOYQZDRPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-7-8-9-10-11-12-13-14-15-17(18(20)21)16-22-23(5,6)19(2,3)4/h17H,7-16H2,1-6H3,(H,20,21).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid has a molecular weight of 344.61 g/mol, XLogP of 6.24, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid is sourced from PubChem (CID 25213691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).