(2,6-dioxooxan-4-yl) trihexyl silicate

C23H44O7Si — CID 54385951

IUPAC(2,6-dioxooxan-4-yl) trihexyl silicate
SMILESCCCCCCO[Si](OCCCCCC)(OCCCCCC)OC1CC(=O)OC(=O)C1
InChIInChI=1S/C23H44O7Si/c1-4-7-10-13-16-26-31(27-17-14-11-8-5-2,28-18-15-12-9-6-3)30-21-19-22(24)29-23(25)20-21/h21H,4-20H2,1-3H3
InChIKeyVDFXSFSEOKDTJF-UHFFFAOYSA-N
MW460.68 g/mol
LogP5.46
Rot. Bonds20

About (2,6-dioxooxan-4-yl) trihexyl silicate

(2,6-dioxooxan-4-yl) trihexyl silicate (PubChem CID 54385951) has the molecular formula C23H44O7Si and a molecular weight of 460.68 g/mol. Its IUPAC name is (2,6-dioxooxan-4-yl) trihexyl silicate.

Molecular Properties

Compound Name(2,6-dioxooxan-4-yl) trihexyl silicate
PubChem CID54385951
Molecular FormulaC23H44O7Si
Molecular Weight460.68 g/mol
Exact Mass460.29
IUPAC Name(2,6-dioxooxan-4-yl) trihexyl silicate
SMILESCCCCCCO[Si](OCCCCCC)(OCCCCCC)OC1CC(=O)OC(=O)C1
InChIInChI=1S/C23H44O7Si/c1-4-7-10-13-16-26-31(27-17-14-11-8-5-2,28-18-15-12-9-6-3)30-21-19-22(24)29-23(25)20-21/h21H,4-20H2,1-3H3
InChIKeyVDFXSFSEOKDTJF-UHFFFAOYSA-N
XLogP5.46
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.68
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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
(4R)-4-nonoxyoxetan-2-one
CID 175477617
trihexyl 4-(oxiran-2-yl)butyl silicate
CID 22098092
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
hexoxy-dimethyl-undecoxysilane
CID 91742305
hexoxy-dimethyl-nonoxysilane
CID 91741085

Frequently Asked Questions

What is the IUPAC name of (2,6-dioxooxan-4-yl) trihexyl silicate?
The IUPAC name of (2,6-dioxooxan-4-yl) trihexyl silicate (CID 54385951) is (2,6-dioxooxan-4-yl) trihexyl silicate.
What is the SMILES notation for (2,6-dioxooxan-4-yl) trihexyl silicate?
The canonical SMILES for (2,6-dioxooxan-4-yl) trihexyl silicate is CCCCCCO[Si](OCCCCCC)(OCCCCCC)OC1CC(=O)OC(=O)C1.
What is the InChIKey of (2,6-dioxooxan-4-yl) trihexyl silicate?
The InChIKey is VDFXSFSEOKDTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O7Si/c1-4-7-10-13-16-26-31(27-17-14-11-8-5-2,28-18-15-12-9-6-3)30-21-19-22(24)29-23(25)20-21/h21H,4-20H2,1-3H3.
What are the key properties of (2,6-dioxooxan-4-yl) trihexyl silicate?
(2,6-dioxooxan-4-yl) trihexyl silicate has a molecular weight of 460.68 g/mol, XLogP of 5.46, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioxooxan-4-yl) trihexyl silicate is sourced from PubChem (CID 54385951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).