1-chlorooctadecylsilane

C18H39ClSi — CID 3021138

IUPAC1-chlorooctadecylsilane
SMILESCCCCCCCCCCCCCCCCCC([SiH3])Cl
InChIInChI=1S/C18H39ClSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18H,2-17H2,1,20H3
InChIKeyMEIOHRPFSTUUOG-UHFFFAOYSA-N
MW319.05 g/mol
LogP6.18
Rot. Bonds16

About 1-chlorooctadecylsilane

1-chlorooctadecylsilane (PubChem CID 3021138) has the molecular formula C18H39ClSi and a molecular weight of 319.05 g/mol. Its IUPAC name is 1-chlorooctadecylsilane.

Molecular Properties

Compound Name1-chlorooctadecylsilane
PubChem CID3021138
Molecular FormulaC18H39ClSi
Molecular Weight319.05 g/mol
Exact Mass318.25
IUPAC Name1-chlorooctadecylsilane
SMILESCCCCCCCCCCCCCCCCCC([SiH3])Cl
InChIInChI=1S/C18H39ClSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18H,2-17H2,1,20H3
InChIKeyMEIOHRPFSTUUOG-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.05
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chlorooctadecylsilane?
The IUPAC name of 1-chlorooctadecylsilane (CID 3021138) is 1-chlorooctadecylsilane.
What is the SMILES notation for 1-chlorooctadecylsilane?
The canonical SMILES for 1-chlorooctadecylsilane is CCCCCCCCCCCCCCCCCC([SiH3])Cl.
What is the InChIKey of 1-chlorooctadecylsilane?
The InChIKey is MEIOHRPFSTUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39ClSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18H,2-17H2,1,20H3.
What are the key properties of 1-chlorooctadecylsilane?
1-chlorooctadecylsilane has a molecular weight of 319.05 g/mol, XLogP of 6.18, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorooctadecylsilane is sourced from PubChem (CID 3021138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).