(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one

C20H38OSi — CID 102247206

IUPAC(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCC(C)(C)C2=O)C1
InChIInChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)17-9-10-20(13-17)12-11-19(7,8)18(20)21/h14-17H,9-13H2,1-8H3/t17-,20+/m1/s1
InChIKeyGIDBLJJGKXUOMV-XLIONFOSSA-N
MW322.61 g/mol
LogP6.59
Rot. Bonds4

About (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one

(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one (PubChem CID 102247206) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one
PubChem CID102247206
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCC(C)(C)C2=O)C1
InChIInChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)17-9-10-20(13-17)12-11-19(7,8)18(20)21/h14-17H,9-13H2,1-8H3/t17-,20+/m1/s1
InChIKeyGIDBLJJGKXUOMV-XLIONFOSSA-N
XLogP6.59
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 ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-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

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
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
CID 10851665
1-[(2R,3aS,6aS)-6a-methyl-2-tri(propan-2-yl)silyl-1,2,3,4,5,6-hexahydropentalen-3a-yl]ethanone
CID 11809460
(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
1-Cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one
CID 59143646
3-(3-Tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one
CID 131991055
4-[2-(3,3-Dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one
CID 135142040
1,3-Bis(3,3-dimethylcyclopentyl)propan-2-one
CID 140148163
1-[3-[2-[3-(2,2-Dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one
CID 162279437
1-[Tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one
CID 10825813

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one?
The IUPAC name of (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one (CID 102247206) is (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one.
What is the SMILES notation for (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one?
The canonical SMILES for (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one is CC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCC(C)(C)C2=O)C1.
What is the InChIKey of (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one?
The InChIKey is GIDBLJJGKXUOMV-XLIONFOSSA-N. The full InChI is InChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)17-9-10-20(13-17)12-11-19(7,8)18(20)21/h14-17H,9-13H2,1-8H3/t17-,20+/m1/s1.
What are the key properties of (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one?
(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one has a molecular weight of 322.61 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one is sourced from PubChem (CID 102247206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).