ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate

C20H38O5Si — CID 140813871

IUPACethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(CCCO[Si](C)(C)C(C)(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C20H38O5Si/c1-7-22-17(21)19(9-8-14-25-26(5,6)18(2,3)4)10-12-20(13-11-19)23-15-16-24-20/h7-16H2,1-6H3
InChIKeyNMAXBBCISRWXLB-UHFFFAOYSA-N
MW386.61 g/mol
LogP4.66
Rot. Bonds7

About ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 140813871) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID140813871
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Nameethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(CCCO[Si](C)(C)C(C)(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C20H38O5Si/c1-7-22-17(21)19(9-8-14-25-26(5,6)18(2,3)4)10-12-20(13-11-19)23-15-16-24-20/h7-16H2,1-6H3
InChIKeyNMAXBBCISRWXLB-UHFFFAOYSA-N
XLogP4.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 140813871) is ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(CCCO[Si](C)(C)C(C)(C)C)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is NMAXBBCISRWXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-7-22-17(21)19(9-8-14-25-26(5,6)18(2,3)4)10-12-20(13-11-19)23-15-16-24-20/h7-16H2,1-6H3.
What are the key properties of ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 386.61 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 140813871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).