ethenyl trihexyl silicate

C20H42O4Si — CID 22134263

IUPACethenyl trihexyl silicate
SMILESC=CO[Si](OCCCCCC)(OCCCCCC)OCCCCCC
InChIInChI=1S/C20H42O4Si/c1-5-9-12-15-18-22-25(21-8-4,23-19-16-13-10-6-2)24-20-17-14-11-7-3/h8H,4-7,9-20H2,1-3H3
InChIKeyCNWOTABIRVLSDC-UHFFFAOYSA-N
MW374.64 g/mol
LogP6.37
Rot. Bonds20

About ethenyl trihexyl silicate

ethenyl trihexyl silicate (PubChem CID 22134263) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is ethenyl trihexyl silicate.

Molecular Properties

Compound Nameethenyl trihexyl silicate
PubChem CID22134263
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Nameethenyl trihexyl silicate
SMILESC=CO[Si](OCCCCCC)(OCCCCCC)OCCCCCC
InChIInChI=1S/C20H42O4Si/c1-5-9-12-15-18-22-25(21-8-4,23-19-16-13-10-6-2)24-20-17-14-11-7-3/h8H,4-7,9-20H2,1-3H3
InChIKeyCNWOTABIRVLSDC-UHFFFAOYSA-N
XLogP6.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
tributyl octyl silicate
CID 141280761
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623

Frequently Asked Questions

What is the IUPAC name of ethenyl trihexyl silicate?
The IUPAC name of ethenyl trihexyl silicate (CID 22134263) is ethenyl trihexyl silicate.
What is the SMILES notation for ethenyl trihexyl silicate?
The canonical SMILES for ethenyl trihexyl silicate is C=CO[Si](OCCCCCC)(OCCCCCC)OCCCCCC.
What is the InChIKey of ethenyl trihexyl silicate?
The InChIKey is CNWOTABIRVLSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-5-9-12-15-18-22-25(21-8-4,23-19-16-13-10-6-2)24-20-17-14-11-7-3/h8H,4-7,9-20H2,1-3H3.
What are the key properties of ethenyl trihexyl silicate?
ethenyl trihexyl silicate has a molecular weight of 374.64 g/mol, XLogP of 6.37, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl trihexyl silicate is sourced from PubChem (CID 22134263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).