2-ethylsilyl-2-heptyl-3-propyldecanoic acid

C22H46O2Si — CID 150745199

IUPAC2-ethylsilyl-2-heptyl-3-propyldecanoic acid
SMILESCCCCCCCC(CCC)C(CCCCCCC)([SiH2]CC)C(=O)O
InChIInChI=1S/C22H46O2Si/c1-5-9-11-13-15-18-20(17-7-3)22(21(23)24,25-8-4)19-16-14-12-10-6-2/h20H,5-19,25H2,1-4H3,(H,23,24)
InChIKeyJURRUOCAHGSIGL-UHFFFAOYSA-N
MW370.69 g/mol
LogP6.97
Rot. Bonds18

About 2-ethylsilyl-2-heptyl-3-propyldecanoic acid

2-ethylsilyl-2-heptyl-3-propyldecanoic acid (PubChem CID 150745199) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-ethylsilyl-2-heptyl-3-propyldecanoic acid.

Molecular Properties

Compound Name2-ethylsilyl-2-heptyl-3-propyldecanoic acid
PubChem CID150745199
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name2-ethylsilyl-2-heptyl-3-propyldecanoic acid
SMILESCCCCCCCC(CCC)C(CCCCCCC)([SiH2]CC)C(=O)O
InChIInChI=1S/C22H46O2Si/c1-5-9-11-13-15-18-20(17-7-3)22(21(23)24,25-8-4)19-16-14-12-10-6-2/h20H,5-19,25H2,1-4H3,(H,23,24)
InChIKeyJURRUOCAHGSIGL-UHFFFAOYSA-N
XLogP6.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 56.97
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

3-ethyl-2-ethylsilyl-2-heptyldecanoic acid
CID 151585922
2-heptyl-2-methylsilyl-3-propyldecanoic acid
CID 151441556
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
15,16,16,18,18,19-hexa(tetradecyl)tritriacontan-17-one
CID 175062470
azane;3-decyl-2,2-dimethyltridecanoic acid
CID 175058079
16-(13-carboxytridecyl)-17-nonyltetratriacontane-1,16,34-tricarboxylic acid
CID 123152686
silyl 2,2-diheptyl-3-propyldecanoate
CID 123286365
5-propyldecane-4,4-diol
CID 156789084
4,4-diethoxy-5-propyltridecane
CID 152734568
4,4-dimethoxy-5-propyltridecane
CID 151317508

Frequently Asked Questions

What is the IUPAC name of 2-ethylsilyl-2-heptyl-3-propyldecanoic acid?
The IUPAC name of 2-ethylsilyl-2-heptyl-3-propyldecanoic acid (CID 150745199) is 2-ethylsilyl-2-heptyl-3-propyldecanoic acid.
What is the SMILES notation for 2-ethylsilyl-2-heptyl-3-propyldecanoic acid?
The canonical SMILES for 2-ethylsilyl-2-heptyl-3-propyldecanoic acid is CCCCCCCC(CCC)C(CCCCCCC)([SiH2]CC)C(=O)O.
What is the InChIKey of 2-ethylsilyl-2-heptyl-3-propyldecanoic acid?
The InChIKey is JURRUOCAHGSIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-5-9-11-13-15-18-20(17-7-3)22(21(23)24,25-8-4)19-16-14-12-10-6-2/h20H,5-19,25H2,1-4H3,(H,23,24).
What are the key properties of 2-ethylsilyl-2-heptyl-3-propyldecanoic acid?
2-ethylsilyl-2-heptyl-3-propyldecanoic acid has a molecular weight of 370.69 g/mol, XLogP of 6.97, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsilyl-2-heptyl-3-propyldecanoic acid is sourced from PubChem (CID 150745199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).