methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

C19H34O5Si — CID 59793268

IUPACmethyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C(O[Si](C(C)C)(C(C)C)C(C)C)CCC2(C1)OCCO2
InChIInChI=1S/C19H34O5Si/c1-13(2)25(14(3)4,15(5)6)24-17-8-9-19(22-10-11-23-19)12-16(17)18(20)21-7/h13-15H,8-12H2,1-7H3
InChIKeyZQSNDAYWYOEHAN-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.53
Rot. Bonds6

About methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (PubChem CID 59793268) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
PubChem CID59793268
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namemethyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C(O[Si](C(C)C)(C(C)C)C(C)C)CCC2(C1)OCCO2
InChIInChI=1S/C19H34O5Si/c1-13(2)25(14(3)4,15(5)6)24-17-8-9-19(22-10-11-23-19)12-16(17)18(20)21-7/h13-15H,8-12H2,1-7H3
InChIKeyZQSNDAYWYOEHAN-UHFFFAOYSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The IUPAC name of methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (CID 59793268) is methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.
What is the SMILES notation for methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The canonical SMILES for methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is COC(=O)C1=C(O[Si](C(C)C)(C(C)C)C(C)C)CCC2(C1)OCCO2.
What is the InChIKey of methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The InChIKey is ZQSNDAYWYOEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-13(2)25(14(3)4,15(5)6)24-17-8-9-19(22-10-11-23-19)12-16(17)18(20)21-7/h13-15H,8-12H2,1-7H3.
What are the key properties of methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate has a molecular weight of 370.56 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-tri(propan-2-yl)silyloxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is sourced from PubChem (CID 59793268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).