trichloro(2-pentacosan-13-ylsilylethyl)silane

C27H57Cl3Si2 — CID 173227893

IUPACtrichloro(2-pentacosan-13-ylsilylethyl)silane
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)[SiH2]CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C27H57Cl3Si2/c1-3-5-7-9-11-13-15-17-19-21-23-27(31-25-26-32(28,29)30)24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,31H2,1-2H3
InChIKeyMYYHQQHDKWDZNY-UHFFFAOYSA-N
MW544.28 g/mol
LogP11.64
Rot. Bonds26

About trichloro(2-pentacosan-13-ylsilylethyl)silane

trichloro(2-pentacosan-13-ylsilylethyl)silane (PubChem CID 173227893) has the molecular formula C27H57Cl3Si2 and a molecular weight of 544.28 g/mol. Its IUPAC name is trichloro(2-pentacosan-13-ylsilylethyl)silane.

Molecular Properties

Compound Nametrichloro(2-pentacosan-13-ylsilylethyl)silane
PubChem CID173227893
Molecular FormulaC27H57Cl3Si2
Molecular Weight544.28 g/mol
Exact Mass542.31
IUPAC Nametrichloro(2-pentacosan-13-ylsilylethyl)silane
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)[SiH2]CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C27H57Cl3Si2/c1-3-5-7-9-11-13-15-17-19-21-23-27(31-25-26-32(28,29)30)24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,31H2,1-2H3
InChIKeyMYYHQQHDKWDZNY-UHFFFAOYSA-N
XLogP11.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.28
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane
CID 173476693
trichloro(octyl)silane
CID 21354
2-methylheptane;trichloro(decyl)silane;hydrofluoride
CID 174930865
trichloro(18-octadecylsilyloctadecyl)silane
CID 172795504
hexacosan-13-yl(methyl)silane
CID 173227781
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
hexan-3-yl(tetradecyl)silane
CID 174716581
2-(3-trichlorosilylpropyl)undecanoic acid
CID 87857601
trichloro(3-chloropropyl)silane;trichloro(octyl)silane
CID 87989801
4-chloropentadecane
CID 63459834
dichloro-iodo-octylsilane
CID 154486818
4-chlorotridecane
CID 63460920

Frequently Asked Questions

What is the IUPAC name of trichloro(2-pentacosan-13-ylsilylethyl)silane?
The IUPAC name of trichloro(2-pentacosan-13-ylsilylethyl)silane (CID 173227893) is trichloro(2-pentacosan-13-ylsilylethyl)silane.
What is the SMILES notation for trichloro(2-pentacosan-13-ylsilylethyl)silane?
The canonical SMILES for trichloro(2-pentacosan-13-ylsilylethyl)silane is CCCCCCCCCCCCC(CCCCCCCCCCCC)[SiH2]CC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(2-pentacosan-13-ylsilylethyl)silane?
The InChIKey is MYYHQQHDKWDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57Cl3Si2/c1-3-5-7-9-11-13-15-17-19-21-23-27(31-25-26-32(28,29)30)24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,31H2,1-2H3.
What are the key properties of trichloro(2-pentacosan-13-ylsilylethyl)silane?
trichloro(2-pentacosan-13-ylsilylethyl)silane has a molecular weight of 544.28 g/mol, XLogP of 11.64, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(2-pentacosan-13-ylsilylethyl)silane is sourced from PubChem (CID 173227893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).