[diacetyloxy(hexadecan-4-yl)silyl] acetate

C22H42O6Si — CID 141437512

IUPAC[diacetyloxy(hexadecan-4-yl)silyl] acetate
SMILESCCCCCCCCCCCCC(CCC)[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C22H42O6Si/c1-6-8-9-10-11-12-13-14-15-16-18-22(17-7-2)29(26-19(3)23,27-20(4)24)28-21(5)25/h22H,6-18H2,1-5H3
InChIKeyVGXPSUXBCKTVKT-UHFFFAOYSA-N
MW430.66 g/mol
LogP6.10
Rot. Bonds17

About [diacetyloxy(hexadecan-4-yl)silyl] acetate

[diacetyloxy(hexadecan-4-yl)silyl] acetate (PubChem CID 141437512) has the molecular formula C22H42O6Si and a molecular weight of 430.66 g/mol. Its IUPAC name is [diacetyloxy(hexadecan-4-yl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(hexadecan-4-yl)silyl] acetate
PubChem CID141437512
Molecular FormulaC22H42O6Si
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Name[diacetyloxy(hexadecan-4-yl)silyl] acetate
SMILESCCCCCCCCCCCCC(CCC)[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C22H42O6Si/c1-6-8-9-10-11-12-13-14-15-16-18-22(17-7-2)29(26-19(3)23,27-20(4)24)28-21(5)25/h22H,6-18H2,1-5H3
InChIKeyVGXPSUXBCKTVKT-UHFFFAOYSA-N
XLogP6.10
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-acetyloxytetradecyl acetate
CID 88785738
tridodecylsilyl acetate
CID 22926548
pentacosan-2-yl acetate
CID 173416941
1-hydroxytetradecyl acetate
CID 6365614
2-propylundecyl acetate
CID 170849319
undec-1-en-3-yl acetate
CID 3023472
[(3S)-nonan-3-yl] acetate
CID 76967958
1-iododecyl acetate
CID 155063034
ethaneperoxoic acid;octane
CID 87879495
2-methyl-6-trimethoxysilylundec-2-enoic acid
CID 154490911
2-methylnonadecane;propan-2-one
CID 141405407
3-pentylnonan-2-one
CID 21290467

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(hexadecan-4-yl)silyl] acetate?
The IUPAC name of [diacetyloxy(hexadecan-4-yl)silyl] acetate (CID 141437512) is [diacetyloxy(hexadecan-4-yl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(hexadecan-4-yl)silyl] acetate?
The canonical SMILES for [diacetyloxy(hexadecan-4-yl)silyl] acetate is CCCCCCCCCCCCC(CCC)[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(hexadecan-4-yl)silyl] acetate?
The InChIKey is VGXPSUXBCKTVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O6Si/c1-6-8-9-10-11-12-13-14-15-16-18-22(17-7-2)29(26-19(3)23,27-20(4)24)28-21(5)25/h22H,6-18H2,1-5H3.
What are the key properties of [diacetyloxy(hexadecan-4-yl)silyl] acetate?
[diacetyloxy(hexadecan-4-yl)silyl] acetate has a molecular weight of 430.66 g/mol, XLogP of 6.10, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(hexadecan-4-yl)silyl] acetate is sourced from PubChem (CID 141437512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).