(3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one

C20H38OSi — CID 11034640

IUPAC(3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCCCCC2=O)C1
InChIInChI=1S/C20H38OSi/c1-15(2)22(16(3)4,17(5)6)18-11-13-20(14-18)12-9-7-8-10-19(20)21/h15-18H,7-14H2,1-6H3/t18-,20-/m1/s1
InChIKeyKWTPERWGLCRZPU-UYAOXDASSA-N
MW322.61 g/mol
LogP6.74
Rot. Bonds4

About (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one

(3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one (PubChem CID 11034640) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one.

Molecular Properties

Compound Name(3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one
PubChem CID11034640
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name(3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCCCCC2=O)C1
InChIInChI=1S/C20H38OSi/c1-15(2)22(16(3)4,17(5)6)18-11-13-20(14-18)12-9-7-8-10-19(20)21/h15-18H,7-14H2,1-6H3/t18-,20-/m1/s1
InChIKeyKWTPERWGLCRZPU-UYAOXDASSA-N
XLogP6.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

18,18-Dimethyl-1-trimethylsilylnonadecane-3,15-dione
CID 101809462
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one
CID 10805099
1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
CID 10847914
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
CID 10851665
1-[(1S,15S,17R)-17-[tert-butyl(difluoro)silyl]-1-bicyclo[13.3.0]octadecanyl]ethanone
CID 11112459
2,2,6-Trimethyl-7-(3-oxo-2-trimethylsilylbutyl)cycloheptan-1-one
CID 11403731
(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one
CID 102247209
5,5,9-Trimethyl-1-trimethylsilyldecan-2-one
CID 56989741
3-[1-[Tert-butyl(dimethyl)silyl]pentyl]cyclopentan-1-one
CID 11230979
3,3-Bis[4-(trimethylsilyl)-3-butynyl]cyclopentanone
CID 12583074
2,2-Dimethyl-4-(trimethylsilylmethyl)nonan-3-one
CID 14902790
3-Methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one
CID 46848364

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one?
The IUPAC name of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one (CID 11034640) is (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one.
What is the SMILES notation for (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one?
The canonical SMILES for (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one is CC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCCCCC2=O)C1.
What is the InChIKey of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one?
The InChIKey is KWTPERWGLCRZPU-UYAOXDASSA-N. The full InChI is InChI=1S/C20H38OSi/c1-15(2)22(16(3)4,17(5)6)18-11-13-20(14-18)12-9-7-8-10-19(20)21/h15-18H,7-14H2,1-6H3/t18-,20-/m1/s1.
What are the key properties of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one?
(3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one has a molecular weight of 322.61 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one is sourced from PubChem (CID 11034640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).