silyl 2,2-diheptyl-3-propyldecanoate

C27H56O2Si — CID 123286365

IUPACsilyl 2,2-diheptyl-3-propyldecanoate
SMILESCCCCCCCC(CCC)C(CCCCCCC)(CCCCCCC)C(=O)O[SiH3]
InChIInChI=1S/C27H56O2Si/c1-5-9-12-15-18-22-25(21-8-4)27(26(28)29-30,23-19-16-13-10-6-2)24-20-17-14-11-7-3/h25H,5-24H2,1-4,30H3
InChIKeyLXUOYRAOCUTSHK-UHFFFAOYSA-N
MW440.83 g/mol
LogP8.29
Rot. Bonds22

About silyl 2,2-diheptyl-3-propyldecanoate

silyl 2,2-diheptyl-3-propyldecanoate (PubChem CID 123286365) has the molecular formula C27H56O2Si and a molecular weight of 440.83 g/mol. Its IUPAC name is silyl 2,2-diheptyl-3-propyldecanoate.

Molecular Properties

Compound Namesilyl 2,2-diheptyl-3-propyldecanoate
PubChem CID123286365
Molecular FormulaC27H56O2Si
Molecular Weight440.83 g/mol
Exact Mass440.40
IUPAC Namesilyl 2,2-diheptyl-3-propyldecanoate
SMILESCCCCCCCC(CCC)C(CCCCCCC)(CCCCCCC)C(=O)O[SiH3]
InChIInChI=1S/C27H56O2Si/c1-5-9-12-15-18-22-25(21-8-4)27(26(28)29-30,23-19-16-13-10-6-2)24-20-17-14-11-7-3/h25H,5-24H2,1-4,30H3
InChIKeyLXUOYRAOCUTSHK-UHFFFAOYSA-N
XLogP8.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

15,16,16,18,18,19-hexa(tetradecyl)tritriacontan-17-one
CID 175062470
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-trioctadecylhenicosanoate
CID 142637799
2,2-didodecyl-3-nonylpentadecanamide
CID 175756263
2,3-dibutyl-2-octyldecanoic acid
CID 87603742
silyl 2,2,3-triethylhexanoate
CID 173470037
2,3-dibutyl-2-ethyldodecanoic acid
CID 91044194
16-(13-carboxytridecyl)-17-nonyltetratriacontane-1,16,34-tricarboxylic acid
CID 123152686
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2,3-tridodecylpentadecanethioic S-acid
CID 87318467
3-butyl-2,2-dioctyldecanedioic acid
CID 91189239
4,4-dimethoxy-5-propyltridecane
CID 151317508
2-heptyl-2-methylsilyl-3-propyldecanoic acid
CID 151441556
2-ethylsilyl-2-heptyl-3-propyldecanoic acid
CID 150745199

Frequently Asked Questions

What is the IUPAC name of silyl 2,2-diheptyl-3-propyldecanoate?
The IUPAC name of silyl 2,2-diheptyl-3-propyldecanoate (CID 123286365) is silyl 2,2-diheptyl-3-propyldecanoate.
What is the SMILES notation for silyl 2,2-diheptyl-3-propyldecanoate?
The canonical SMILES for silyl 2,2-diheptyl-3-propyldecanoate is CCCCCCCC(CCC)C(CCCCCCC)(CCCCCCC)C(=O)O[SiH3].
What is the InChIKey of silyl 2,2-diheptyl-3-propyldecanoate?
The InChIKey is LXUOYRAOCUTSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2Si/c1-5-9-12-15-18-22-25(21-8-4)27(26(28)29-30,23-19-16-13-10-6-2)24-20-17-14-11-7-3/h25H,5-24H2,1-4,30H3.
What are the key properties of silyl 2,2-diheptyl-3-propyldecanoate?
silyl 2,2-diheptyl-3-propyldecanoate has a molecular weight of 440.83 g/mol, XLogP of 8.29, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2-diheptyl-3-propyldecanoate is sourced from PubChem (CID 123286365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).