methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

C23H32O6Si — CID 10025819

IUPACmethyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1(CCC(=O)CC[Si](C)(C)c2ccccc2)CC2(CCC1=O)OCCO2
InChIInChI=1S/C23H32O6Si/c1-27-21(26)22(17-23(13-10-20(22)25)28-14-15-29-23)12-9-18(24)11-16-30(2,3)19-7-5-4-6-8-19/h4-8H,9-17H2,1-3H3
InChIKeyFXGKRZDZMTUIPA-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.00
Rot. Bonds8

About methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 10025819) has the molecular formula C23H32O6Si and a molecular weight of 432.59 g/mol. Its IUPAC name is methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID10025819
Molecular FormulaC23H32O6Si
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Namemethyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1(CCC(=O)CC[Si](C)(C)c2ccccc2)CC2(CCC1=O)OCCO2
InChIInChI=1S/C23H32O6Si/c1-27-21(26)22(17-23(13-10-20(22)25)28-14-15-29-23)12-9-18(24)11-16-30(2,3)19-7-5-4-6-8-19/h4-8H,9-17H2,1-3H3
InChIKeyFXGKRZDZMTUIPA-UHFFFAOYSA-N
XLogP3.00
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 10025819) is methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate is COC(=O)C1(CCC(=O)CC[Si](C)(C)c2ccccc2)CC2(CCC1=O)OCCO2.
What is the InChIKey of methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is FXGKRZDZMTUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O6Si/c1-27-21(26)22(17-23(13-10-20(22)25)28-14-15-29-23)12-9-18(24)11-16-30(2,3)19-7-5-4-6-8-19/h4-8H,9-17H2,1-3H3.
What are the key properties of methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 432.59 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[5-[dimethyl(phenyl)silyl]-3-oxopentyl]-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 10025819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).