methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate

C23H44O4Si2 — CID 66750406

IUPACmethyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate
SMILESCOC(=O)C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C2(CC2)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H44O4Si2/c1-21(2,3)28(8,9)26-18-14-17(16-20(24)25-7)15-19(23(18)12-13-23)27-29(10,11)22(4,5)6/h16,18-19H,12-15H2,1-11H3/t18-,19-/m1/s1
InChIKeyRUMVSPLDXGUWRX-RTBURBONSA-N
MW440.77 g/mol
LogP6.44
Rot. Bonds5

About methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate

methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate (PubChem CID 66750406) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate
PubChem CID66750406
Molecular FormulaC23H44O4Si2
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Namemethyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate
SMILESCOC(=O)C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C2(CC2)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H44O4Si2/c1-21(2,3)28(8,9)26-18-14-17(16-20(24)25-7)15-19(23(18)12-13-23)27-29(10,11)22(4,5)6/h16,18-19H,12-15H2,1-11H3/t18-,19-/m1/s1
InChIKeyRUMVSPLDXGUWRX-RTBURBONSA-N
XLogP6.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate?
The IUPAC name of methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate (CID 66750406) is methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate.
What is the SMILES notation for methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate?
The canonical SMILES for methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate is COC(=O)C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C2(CC2)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate?
The InChIKey is RUMVSPLDXGUWRX-RTBURBONSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-21(2,3)28(8,9)26-18-14-17(16-20(24)25-7)15-19(23(18)12-13-23)27-29(10,11)22(4,5)6/h16,18-19H,12-15H2,1-11H3/t18-,19-/m1/s1.
What are the key properties of methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate?
methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate has a molecular weight of 440.77 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]acetate is sourced from PubChem (CID 66750406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).