3-[tert-butyl(dimethyl)silyl]pentanedioic acid

C11H22O4Si — CID 174743819

IUPAC3-[tert-butyl(dimethyl)silyl]pentanedioic acid
SMILESCC(C)(C)[Si](C)(C)C(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H22O4Si/c1-11(2,3)16(4,5)8(6-9(12)13)7-10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyKEYYURGBGMVYHN-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.81
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]pentanedioic acid

3-[tert-butyl(dimethyl)silyl]pentanedioic acid (PubChem CID 174743819) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]pentanedioic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]pentanedioic acid
PubChem CID174743819
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]pentanedioic acid
SMILESCC(C)(C)[Si](C)(C)C(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H22O4Si/c1-11(2,3)16(4,5)8(6-9(12)13)7-10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyKEYYURGBGMVYHN-UHFFFAOYSA-N
XLogP2.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid
CID 141142277
3-chloro-4,4-dimethylpentanoic acid
CID 87203754
3,4-bis(trimethylsilyloxy)pentanoic acid
CID 87303554
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxohexanoic acid
CID 101339445
(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride
CID 170900105
3-bromo-4,4-dimethylpentanoic acid
CID 22471981
2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid
CID 86038791
2-[(2-methylpropan-2-yl)oxycarbonyl]butanedioic acid
CID 54139200
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
3-methylbutanoic acid
CID 20849036
3-amino-5-ethyl-5-methylheptanoic acid
CID 174222346

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]pentanedioic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]pentanedioic acid (CID 174743819) is 3-[tert-butyl(dimethyl)silyl]pentanedioic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]pentanedioic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]pentanedioic acid is CC(C)(C)[Si](C)(C)C(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]pentanedioic acid?
The InChIKey is KEYYURGBGMVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-11(2,3)16(4,5)8(6-9(12)13)7-10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]pentanedioic acid?
3-[tert-butyl(dimethyl)silyl]pentanedioic acid has a molecular weight of 246.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]pentanedioic acid is sourced from PubChem (CID 174743819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).