2-heptyl-2-methylsilyl-3-propyldecanoic acid

C21H44O2Si — CID 151441556

IUPAC2-heptyl-2-methylsilyl-3-propyldecanoic acid
SMILESCCCCCCCC(CCC)C(CCCCCCC)([SiH2]C)C(=O)O
InChIInChI=1S/C21H44O2Si/c1-5-8-10-12-14-17-19(16-7-3)21(24-4,20(22)23)18-15-13-11-9-6-2/h19H,5-18,24H2,1-4H3,(H,22,23)
InChIKeyPEPZAKKXRYMOMJ-UHFFFAOYSA-N
MW356.67 g/mol
LogP6.58
Rot. Bonds17

About 2-heptyl-2-methylsilyl-3-propyldecanoic acid

2-heptyl-2-methylsilyl-3-propyldecanoic acid (PubChem CID 151441556) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-heptyl-2-methylsilyl-3-propyldecanoic acid.

Molecular Properties

Compound Name2-heptyl-2-methylsilyl-3-propyldecanoic acid
PubChem CID151441556
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name2-heptyl-2-methylsilyl-3-propyldecanoic acid
SMILESCCCCCCCC(CCC)C(CCCCCCC)([SiH2]C)C(=O)O
InChIInChI=1S/C21H44O2Si/c1-5-8-10-12-14-17-19(16-7-3)21(24-4,20(22)23)18-15-13-11-9-6-2/h19H,5-18,24H2,1-4H3,(H,22,23)
InChIKeyPEPZAKKXRYMOMJ-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
3-ethyl-2-ethylsilyl-2-heptyldecanoic acid
CID 151585922
azane;3-decyl-2,2-dimethyltridecanoic acid
CID 175058079
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
16-(13-carboxytridecyl)-17-nonyltetratriacontane-1,16,34-tricarboxylic acid
CID 123152686
silyl 2,2-diheptyl-3-propyldecanoate
CID 123286365
2,3-dibutyl-2-ethyldodecanoic acid
CID 91044194
3-ethyl-2-methyl-2-(5-methylhexyl)decanoic acid
CID 151889594
2-(3-ethyloctan-3-yl)-2-octan-3-yldodecanoic acid
CID 175091630

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-methylsilyl-3-propyldecanoic acid?
The IUPAC name of 2-heptyl-2-methylsilyl-3-propyldecanoic acid (CID 151441556) is 2-heptyl-2-methylsilyl-3-propyldecanoic acid.
What is the SMILES notation for 2-heptyl-2-methylsilyl-3-propyldecanoic acid?
The canonical SMILES for 2-heptyl-2-methylsilyl-3-propyldecanoic acid is CCCCCCCC(CCC)C(CCCCCCC)([SiH2]C)C(=O)O.
What is the InChIKey of 2-heptyl-2-methylsilyl-3-propyldecanoic acid?
The InChIKey is PEPZAKKXRYMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-5-8-10-12-14-17-19(16-7-3)21(24-4,20(22)23)18-15-13-11-9-6-2/h19H,5-18,24H2,1-4H3,(H,22,23).
What are the key properties of 2-heptyl-2-methylsilyl-3-propyldecanoic acid?
2-heptyl-2-methylsilyl-3-propyldecanoic 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 2-heptyl-2-methylsilyl-3-propyldecanoic acid is sourced from PubChem (CID 151441556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).