chloro-dodecyl-dioctoxysilane

C28H59ClO2Si — CID 154096058

IUPACchloro-dodecyl-dioctoxysilane
SMILESCCCCCCCCCCCC[Si](Cl)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C28H59ClO2Si/c1-4-7-10-13-16-17-18-19-22-25-28-32(29,30-26-23-20-14-11-8-5-2)31-27-24-21-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyHSBYRWDSOBIBMJ-UHFFFAOYSA-N
MW491.32 g/mol
LogP10.84
Rot. Bonds27

About chloro-dodecyl-dioctoxysilane

chloro-dodecyl-dioctoxysilane (PubChem CID 154096058) has the molecular formula C28H59ClO2Si and a molecular weight of 491.32 g/mol. Its IUPAC name is chloro-dodecyl-dioctoxysilane.

Molecular Properties

Compound Namechloro-dodecyl-dioctoxysilane
PubChem CID154096058
Molecular FormulaC28H59ClO2Si
Molecular Weight491.32 g/mol
Exact Mass490.40
IUPAC Namechloro-dodecyl-dioctoxysilane
SMILESCCCCCCCCCCCC[Si](Cl)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C28H59ClO2Si/c1-4-7-10-13-16-17-18-19-22-25-28-32(29,30-26-23-20-14-11-8-5-2)31-27-24-21-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyHSBYRWDSOBIBMJ-UHFFFAOYSA-N
XLogP10.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.32
LogP ≤ 510.84
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

chloro-ethoxy-octyl-propoxysilane
CID 140744864
dichloro-octoxy-octylsilane
CID 176895817
trichloro(hexoxy)silane
CID 524762
dichloro(diheptoxy)silane
CID 139999080
butyl-chloro-ethoxy-propoxysilane
CID 140745078
trichloro(pentoxy)silane
CID 524763
hexadecoxy-dimethyl-octylsilane
CID 627002
dodecoxy-dimethyl-octylsilane
CID 618139
chloro-diethyl-octoxysilane
CID 91735680
chloro-ethoxy-hexyl-methoxysilane
CID 140745098
nonyl tripentyl silicate
CID 141280747
triheptyl pentyl silicate
CID 141280740

Frequently Asked Questions

What is the IUPAC name of chloro-dodecyl-dioctoxysilane?
The IUPAC name of chloro-dodecyl-dioctoxysilane (CID 154096058) is chloro-dodecyl-dioctoxysilane.
What is the SMILES notation for chloro-dodecyl-dioctoxysilane?
The canonical SMILES for chloro-dodecyl-dioctoxysilane is CCCCCCCCCCCC[Si](Cl)(OCCCCCCCC)OCCCCCCCC.
What is the InChIKey of chloro-dodecyl-dioctoxysilane?
The InChIKey is HSBYRWDSOBIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59ClO2Si/c1-4-7-10-13-16-17-18-19-22-25-28-32(29,30-26-23-20-14-11-8-5-2)31-27-24-21-15-12-9-6-3/h4-28H2,1-3H3.
What are the key properties of chloro-dodecyl-dioctoxysilane?
chloro-dodecyl-dioctoxysilane has a molecular weight of 491.32 g/mol, XLogP of 10.84, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dodecyl-dioctoxysilane is sourced from PubChem (CID 154096058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).