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

C22H44O3Si2 — CID 66750404

IUPAC2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C12CC2
InChIInChI=1S/C22H44O3Si2/c1-20(2,3)26(7,8)24-18-15-17(11-14-23)16-19(22(18)12-13-22)25-27(9,10)21(4,5)6/h11,18-19,23H,12-16H2,1-10H3/t18-,19-/m1/s1
InChIKeyGXZAKUCMBRIWPR-RTBURBONSA-N
MW412.76 g/mol
LogP6.26
Rot. Bonds5

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

2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol (PubChem CID 66750404) has the molecular formula C22H44O3Si2 and a molecular weight of 412.76 g/mol. Its IUPAC name is 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol.

Molecular Properties

Compound Name2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol
PubChem CID66750404
Molecular FormulaC22H44O3Si2
Molecular Weight412.76 g/mol
Exact Mass412.28
IUPAC Name2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C12CC2
InChIInChI=1S/C22H44O3Si2/c1-20(2,3)26(7,8)24-18-15-17(11-14-23)16-19(22(18)12-13-22)25-27(9,10)21(4,5)6/h11,18-19,23H,12-16H2,1-10H3/t18-,19-/m1/s1
InChIKeyGXZAKUCMBRIWPR-RTBURBONSA-N
XLogP6.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.76
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol?
The IUPAC name of 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol (CID 66750404) is 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol.
What is the SMILES notation for 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol?
The canonical SMILES for 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C12CC2.
What is the InChIKey of 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol?
The InChIKey is GXZAKUCMBRIWPR-RTBURBONSA-N. The full InChI is InChI=1S/C22H44O3Si2/c1-20(2,3)26(7,8)24-18-15-17(11-14-23)16-19(22(18)12-13-22)25-27(9,10)21(4,5)6/h11,18-19,23H,12-16H2,1-10H3/t18-,19-/m1/s1.
What are the key properties of 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol?
2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol has a molecular weight of 412.76 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol is sourced from PubChem (CID 66750404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).