chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane

C21H47ClSi2 — CID 173476693

IUPACchloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane
SMILESCCCCCCCCC(CCCCCCCC)[SiH2]CC[Si](C)(C)Cl
InChIInChI=1S/C21H47ClSi2/c1-5-7-9-11-13-15-17-21(23-19-20-24(3,4)22)18-16-14-12-10-8-6-2/h21H,5-20,23H2,1-4H3
InChIKeyYLIGUCPSWGMNID-UHFFFAOYSA-N
MW391.23 g/mol
LogP8.31
Rot. Bonds18

About chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane

chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane (PubChem CID 173476693) has the molecular formula C21H47ClSi2 and a molecular weight of 391.23 g/mol. Its IUPAC name is chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane
PubChem CID173476693
Molecular FormulaC21H47ClSi2
Molecular Weight391.23 g/mol
Exact Mass390.29
IUPAC Namechloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane
SMILESCCCCCCCCC(CCCCCCCC)[SiH2]CC[Si](C)(C)Cl
InChIInChI=1S/C21H47ClSi2/c1-5-7-9-11-13-15-17-21(23-19-20-24(3,4)22)18-16-14-12-10-8-6-2/h21H,5-20,23H2,1-4H3
InChIKeyYLIGUCPSWGMNID-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.23
LogP ≤ 58.31
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

trichloro(2-pentacosan-13-ylsilylethyl)silane
CID 173227893
chloro-dimethyl-nonadecylsilane
CID 87338427
chloro-dimethyl-nonan-2-ylsilane
CID 101114089
dichloro(dimethyl)silane;2-methylheptane
CID 87807519
hexacosan-13-yl(methyl)silane
CID 173227781
hexan-3-yl(tetradecyl)silane
CID 174716581
2-methylheptane;trichloro(decyl)silane;hydrofluoride
CID 174930865
chloro-(2-ethylhexacosyl)-dimethylsilane
CID 87449643
11,14-dimethylhexacosane
CID 86148083
dodecan-2-yl(trimethyl)silane
CID 11425039
1-[chloro(dimethyl)silyl]undecane-1-thiol
CID 87857427
4-methyltritriacontane
CID 71346224

Frequently Asked Questions

What is the IUPAC name of chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane?
The IUPAC name of chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane (CID 173476693) is chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane.
What is the SMILES notation for chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane?
The canonical SMILES for chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane is CCCCCCCCC(CCCCCCCC)[SiH2]CC[Si](C)(C)Cl.
What is the InChIKey of chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane?
The InChIKey is YLIGUCPSWGMNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47ClSi2/c1-5-7-9-11-13-15-17-21(23-19-20-24(3,4)22)18-16-14-12-10-8-6-2/h21H,5-20,23H2,1-4H3.
What are the key properties of chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane?
chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane has a molecular weight of 391.23 g/mol, XLogP of 8.31, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane is sourced from PubChem (CID 173476693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).