2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid

C14H20O4Si — CID 154000972

IUPAC2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid
SMILESCCCC[Si](C)(C)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H20O4Si/c1-4-5-10-19(2,3)18-14(17)12-9-7-6-8-11(12)13(15)16/h6-9H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyMRSYFDJAHVFQJN-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.55
Rot. Bonds6

About 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid

2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid (PubChem CID 154000972) has the molecular formula C14H20O4Si and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid
PubChem CID154000972
Molecular FormulaC14H20O4Si
Molecular Weight280.40 g/mol
Exact Mass280.11
IUPAC Name2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid
SMILESCCCC[Si](C)(C)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H20O4Si/c1-4-5-10-19(2,3)18-14(17)12-9-7-6-8-11(12)13(15)16/h6-9H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyMRSYFDJAHVFQJN-UHFFFAOYSA-N
XLogP3.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethene;2-ethoxycarbonylbenzoic acid
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2-[(2S)-hexan-2-yl]oxycarbonylbenzoic acid
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2-(dodecylamino)oxycarbonylbenzoic acid
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2-butoxycarbonylbenzoic acid;phenol
CID 159812371
2-nonadec-9-enoxycarbonylbenzoic acid
CID 66690884
2-(9-hexyloctadecan-9-yloxycarbonyl)benzoic acid
CID 141231360
2-tetradecan-7-yloxycarbonylbenzoic acid
CID 54069782
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CID 19818080
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CID 175037657

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid?
The IUPAC name of 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid (CID 154000972) is 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid.
What is the SMILES notation for 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid?
The canonical SMILES for 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid is CCCC[Si](C)(C)OC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid?
The InChIKey is MRSYFDJAHVFQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4Si/c1-4-5-10-19(2,3)18-14(17)12-9-7-6-8-11(12)13(15)16/h6-9H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid?
2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid has a molecular weight of 280.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid is sourced from PubChem (CID 154000972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).