ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate

C23H46O5Si2 — CID 11091763

IUPACethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
SMILESC=CC(CC(CC(=O)CC(=O)OCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O5Si2/c1-13-19(27-29(9,10)22(3,4)5)17-20(28-30(11,12)23(6,7)8)15-18(24)16-21(25)26-14-2/h13,19-20H,1,14-17H2,2-12H3
InChIKeyQPMXXXWRQVIGTO-UHFFFAOYSA-N
MW458.79 g/mol
LogP6.26
Rot. Bonds12

About ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate

ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate (PubChem CID 11091763) has the molecular formula C23H46O5Si2 and a molecular weight of 458.79 g/mol. Its IUPAC name is ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate.

Molecular Properties

Compound Nameethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
PubChem CID11091763
Molecular FormulaC23H46O5Si2
Molecular Weight458.79 g/mol
Exact Mass458.29
IUPAC Nameethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
SMILESC=CC(CC(CC(=O)CC(=O)OCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O5Si2/c1-13-19(27-29(9,10)22(3,4)5)17-20(28-30(11,12)23(6,7)8)15-18(24)16-21(25)26-14-2/h13,19-20H,1,14-17H2,2-12H3
InChIKeyQPMXXXWRQVIGTO-UHFFFAOYSA-N
XLogP6.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl (5S,6R)-5,6-bis((tert-butyldimethylsilyl)oxy)oct-7-enoate
CID 23730578
ethyl (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-oxohept-6-enoate
CID 12003279
[(2S)-1-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-3,3-dimethyl-4-oxohept-6-en-2-yl] acetate
CID 56590301
Ethyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoate
CID 101937869
methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11783612
ethyl (5S,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
CID 11015964
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 58782240
prop-2-enyl (7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate
CID 60043593
Prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate
CID 72630452
Ethyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 85350934
prop-2-enyl (7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate
CID 88005282
(3R)-5-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoxy]-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 89570647

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate?
The IUPAC name of ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate (CID 11091763) is ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate.
What is the SMILES notation for ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate?
The canonical SMILES for ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate is C=CC(CC(CC(=O)CC(=O)OCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate?
The InChIKey is QPMXXXWRQVIGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O5Si2/c1-13-19(27-29(9,10)22(3,4)5)17-20(28-30(11,12)23(6,7)8)15-18(24)16-21(25)26-14-2/h13,19-20H,1,14-17H2,2-12H3.
What are the key properties of ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate?
ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate has a molecular weight of 458.79 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate is sourced from PubChem (CID 11091763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).