(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one

C17H31FOSi — CID 10851665

IUPAC(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
SMILESCC(C)[Si](F)(C(C)C)[C@@H]1CC[C@]2(CCCCCC2=O)C1
InChIInChI=1S/C17H31FOSi/c1-13(2)20(18,14(3)4)15-9-11-17(12-15)10-7-5-6-8-16(17)19/h13-15H,5-12H2,1-4H3/t15-,17-/m1/s1
InChIKeyCPHDPZFUULGMIH-NVXWUHKLSA-N
MW298.52 g/mol
LogP5.80
Rot. Bonds3

About (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one

(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one (PubChem CID 10851665) has the molecular formula C17H31FOSi and a molecular weight of 298.52 g/mol. Its IUPAC name is (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one.

Molecular Properties

Compound Name(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
PubChem CID10851665
Molecular FormulaC17H31FOSi
Molecular Weight298.52 g/mol
Exact Mass298.21
IUPAC Name(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
SMILESCC(C)[Si](F)(C(C)C)[C@@H]1CC[C@]2(CCCCCC2=O)C1
InChIInChI=1S/C17H31FOSi/c1-13(2)20(18,14(3)4)15-9-11-17(12-15)10-7-5-6-8-16(17)19/h13-15H,5-12H2,1-4H3/t15-,17-/m1/s1
InChIKeyCPHDPZFUULGMIH-NVXWUHKLSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
CID 10658901
(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
1-[(1S,15S,17R)-17-[tert-butyl(difluoro)silyl]-1-bicyclo[13.3.0]octadecanyl]ethanone
CID 11112459
5,5,9-Trimethyl-1-trimethylsilyldecan-2-one
CID 56989741
(3R,5R)-3-tri(propan-2-yl)silylspiro[4.6]undecan-11-one
CID 11034640
3-[1-[Tert-butyl(dimethyl)silyl]pentyl]cyclopentan-1-one
CID 11230979
3-Methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one
CID 46848364
1-[(2R,3aS,8aS)-2-tri(propan-2-yl)silyl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-yl]ethanone
CID 100977687
2-Methyl-2-[5-tri(propan-2-yl)silylpent-4-ynyl]cycloheptan-1-one
CID 101193598
(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one
CID 102247206
(3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one
CID 102247207

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one?
The IUPAC name of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one (CID 10851665) is (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one.
What is the SMILES notation for (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one?
The canonical SMILES for (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one is CC(C)[Si](F)(C(C)C)[C@@H]1CC[C@]2(CCCCCC2=O)C1.
What is the InChIKey of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one?
The InChIKey is CPHDPZFUULGMIH-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H31FOSi/c1-13(2)20(18,14(3)4)15-9-11-17(12-15)10-7-5-6-8-16(17)19/h13-15H,5-12H2,1-4H3/t15-,17-/m1/s1.
What are the key properties of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one?
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one has a molecular weight of 298.52 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one is sourced from PubChem (CID 10851665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).