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

C15H32O3Si — CID 102120789

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid
SMILESCCCCC[C@@](C)(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H32O3Si/c1-8-9-10-11-15(5,13(16)17)12-18-19(6,7)14(2,3)4/h8-12H2,1-7H3,(H,16,17)/t15-/m0/s1
InChIKeyFPAZAWQFDRYGLH-HNNXBMFYSA-N
MW288.50 g/mol
LogP4.68
Rot. Bonds8

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

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid (PubChem CID 102120789) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid
PubChem CID102120789
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid
SMILESCCCCC[C@@](C)(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H32O3Si/c1-8-9-10-11-15(5,13(16)17)12-18-19(6,7)14(2,3)4/h8-12H2,1-7H3,(H,16,17)/t15-/m0/s1
InChIKeyFPAZAWQFDRYGLH-HNNXBMFYSA-N
XLogP4.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.68
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

2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
CID 59925784
2-butyl-2-methylhexanoic acid
CID 15930803
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184
[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane
CID 10625626
2-(8-fluorooctyl)-2-methylpentadecanoic acid
CID 175368880
2-hexyl-2-methyldodecanedioic acid
CID 90370691
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691
2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid
CID 123934980
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid (CID 102120789) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid is CCCCC[C@@](C)(CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid?
The InChIKey is FPAZAWQFDRYGLH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-8-9-10-11-15(5,13(16)17)12-18-19(6,7)14(2,3)4/h8-12H2,1-7H3,(H,16,17)/t15-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid has a molecular weight of 288.50 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid is sourced from PubChem (CID 102120789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).