3-ethyl-2-ethylsilyl-2-heptyldecanoic acid

C21H44O2Si — CID 151585922

IUPAC3-ethyl-2-ethylsilyl-2-heptyldecanoic acid
SMILESCCCCCCCC(CC)C(CCCCCCC)([SiH2]CC)C(=O)O
InChIInChI=1S/C21H44O2Si/c1-5-9-11-13-15-17-19(7-3)21(20(22)23,24-8-4)18-16-14-12-10-6-2/h19H,5-18,24H2,1-4H3,(H,22,23)
InChIKeyQHMGCIKUNSKHQO-UHFFFAOYSA-N
MW356.67 g/mol
LogP6.58
Rot. Bonds17

About 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid

3-ethyl-2-ethylsilyl-2-heptyldecanoic acid (PubChem CID 151585922) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid.

Molecular Properties

Compound Name3-ethyl-2-ethylsilyl-2-heptyldecanoic acid
PubChem CID151585922
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name3-ethyl-2-ethylsilyl-2-heptyldecanoic acid
SMILESCCCCCCCC(CC)C(CCCCCCC)([SiH2]CC)C(=O)O
InChIInChI=1S/C21H44O2Si/c1-5-9-11-13-15-17-19(7-3)21(20(22)23,24-8-4)18-16-14-12-10-6-2/h19H,5-18,24H2,1-4H3,(H,22,23)
InChIKeyQHMGCIKUNSKHQO-UHFFFAOYSA-N
XLogP6.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethylsilyl-2-heptyl-3-propyldecanoic acid
CID 150745199
2-heptyl-2-methylsilyl-3-propyldecanoic acid
CID 151441556
3-ethyl-2-methyl-2-(5-methylhexyl)decanoic acid
CID 151889594
2-(3-ethyloctan-3-yl)-2-octan-3-yldodecanoic acid
CID 175091630
2-(2,3-dihydroxypropyl)-3-ethyl-2-hexylhexadecanoic acid
CID 88540706
2-fluoro-3-octyl-2-undecyltetradecanoic acid
CID 175533993
2,3-dibutyl-2-octyldecanoic acid
CID 87603742
2-butyl-2-dodecan-5-ylpropanedioic acid
CID 156789109
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
2,3-di(icosyl)butanedioic acid
CID 140519407
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid?
The IUPAC name of 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid (CID 151585922) is 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid.
What is the SMILES notation for 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid?
The canonical SMILES for 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid is CCCCCCCC(CC)C(CCCCCCC)([SiH2]CC)C(=O)O.
What is the InChIKey of 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid?
The InChIKey is QHMGCIKUNSKHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-5-9-11-13-15-17-19(7-3)21(20(22)23,24-8-4)18-16-14-12-10-6-2/h19H,5-18,24H2,1-4H3,(H,22,23).
What are the key properties of 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid?
3-ethyl-2-ethylsilyl-2-heptyldecanoic acid has a molecular weight of 356.67 g/mol, XLogP of 6.58, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylsilyl-2-heptyldecanoic acid is sourced from PubChem (CID 151585922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).