1,1-dichlorononadecylsilane

C19H40Cl2Si — CID 123671605

IUPAC1,1-dichlorononadecylsilane
SMILESCCCCCCCCCCCCCCCCCCC([SiH3])(Cl)Cl
InChIInChI=1S/C19H40Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20,21)22/h2-18H2,1,22H3
InChIKeyCSEMTNJASWBYCR-UHFFFAOYSA-N
MW367.52 g/mol
LogP7.13
Rot. Bonds17

About 1,1-dichlorononadecylsilane

1,1-dichlorononadecylsilane (PubChem CID 123671605) has the molecular formula C19H40Cl2Si and a molecular weight of 367.52 g/mol. Its IUPAC name is 1,1-dichlorononadecylsilane.

Molecular Properties

Compound Name1,1-dichlorononadecylsilane
PubChem CID123671605
Molecular FormulaC19H40Cl2Si
Molecular Weight367.52 g/mol
Exact Mass366.23
IUPAC Name1,1-dichlorononadecylsilane
SMILESCCCCCCCCCCCCCCCCCCC([SiH3])(Cl)Cl
InChIInChI=1S/C19H40Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20,21)22/h2-18H2,1,22H3
InChIKeyCSEMTNJASWBYCR-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 57.13
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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Related Compounds

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11-chloro-11-nonylhenicosane
CID 154304707
azane;12-chloro-12-undecyltetracosane
CID 88840214
2-chloro-2-methylheptadecane
CID 19869804
7-methylhexadecan-7-ylsilane
CID 173411878
5,5-dichlorododecane
CID 90767172
azane;2-chloro-2-methyltridecane
CID 87093642
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
2-chloro-2-methylundecane;ethene
CID 158323150
3-chloro-3-methyloctadecane
CID 158282272

Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorononadecylsilane?
The IUPAC name of 1,1-dichlorononadecylsilane (CID 123671605) is 1,1-dichlorononadecylsilane.
What is the SMILES notation for 1,1-dichlorononadecylsilane?
The canonical SMILES for 1,1-dichlorononadecylsilane is CCCCCCCCCCCCCCCCCCC([SiH3])(Cl)Cl.
What is the InChIKey of 1,1-dichlorononadecylsilane?
The InChIKey is CSEMTNJASWBYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20,21)22/h2-18H2,1,22H3.
What are the key properties of 1,1-dichlorononadecylsilane?
1,1-dichlorononadecylsilane has a molecular weight of 367.52 g/mol, XLogP of 7.13, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorononadecylsilane is sourced from PubChem (CID 123671605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).