[benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate

C20H22O5Si — CID 173415998

IUPAC[benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate
SMILESC=CC(CCC)O[SiH](OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C20H22O5Si/c1-3-11-18(4-2)23-26(24-19(21)16-12-7-5-8-13-16)25-20(22)17-14-9-6-10-15-17/h4-10,12-15,18,26H,2-3,11H2,1H3
InChIKeyZVZPTVNUMQIKNR-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.79
Rot. Bonds9

About [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate

[benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate (PubChem CID 173415998) has the molecular formula C20H22O5Si and a molecular weight of 370.48 g/mol. Its IUPAC name is [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate.

Molecular Properties

Compound Name[benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate
PubChem CID173415998
Molecular FormulaC20H22O5Si
Molecular Weight370.48 g/mol
Exact Mass370.12
IUPAC Name[benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate
SMILESC=CC(CCC)O[SiH](OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C20H22O5Si/c1-3-11-18(4-2)23-26(24-19(21)16-12-7-5-8-13-16)25-20(22)17-14-9-6-10-15-17/h4-10,12-15,18,26H,2-3,11H2,1H3
InChIKeyZVZPTVNUMQIKNR-UHFFFAOYSA-N
XLogP3.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxypent-1-en-3-yl benzoate
CID 14375637
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
(6-oxo-6-phenylhex-1-en-3-yl) benzoate
CID 132598620
[(2S)-pentan-2-yl] benzoate
CID 101019298
1-hydroxybutyl benzoate
CID 23042733
2-methoxycarbonyloxybut-3-enyl benzoate
CID 102200830
CID 22215457
CID 22215457
4-methylheptyl benzoate
CID 163114376
methanol;prop-2-enoic acid;propyl benzoate
CID 141098726
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
dodeca-1,7,11-trien-3-yl benzoate
CID 154146161
(111C)butyl benzoate
CID 11994383

Frequently Asked Questions

What is the IUPAC name of [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate?
The IUPAC name of [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate (CID 173415998) is [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate.
What is the SMILES notation for [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate?
The canonical SMILES for [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate is C=CC(CCC)O[SiH](OC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate?
The InChIKey is ZVZPTVNUMQIKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5Si/c1-3-11-18(4-2)23-26(24-19(21)16-12-7-5-8-13-16)25-20(22)17-14-9-6-10-15-17/h4-10,12-15,18,26H,2-3,11H2,1H3.
What are the key properties of [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate?
[benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate has a molecular weight of 370.48 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate is sourced from PubChem (CID 173415998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).