(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one

C20H38OSi — CID 102247209

IUPAC(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC(C)(C)[C@]2(CCCC2=O)C1
InChIInChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)17-12-19(7,8)20(13-17)11-9-10-18(20)21/h14-17H,9-13H2,1-8H3/t17-,20-/m1/s1
InChIKeyTXTXUXDCQPTJFW-YLJYHZDGSA-N
MW322.61 g/mol
LogP6.59
Rot. Bonds4

About (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one

(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one (PubChem CID 102247209) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one
PubChem CID102247209
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC(C)(C)[C@]2(CCCC2=O)C1
InChIInChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)17-12-19(7,8)20(13-17)11-9-10-18(20)21/h14-17H,9-13H2,1-8H3/t17-,20-/m1/s1
InChIKeyTXTXUXDCQPTJFW-YLJYHZDGSA-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'}

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Related Compounds

1,1,6,6-Tetramethylspiro[4.4]nonan-2-one
CID 73822093
CID 176439209
CID 176439209
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one
CID 10805099
1-[(1S,15S,17R)-17-[tert-butyl(difluoro)silyl]-1-bicyclo[13.3.0]octadecanyl]ethanone
CID 11112459
1-[(2R,3aS,6aS)-6a-methyl-2-tri(propan-2-yl)silyl-1,2,3,4,5,6-hexahydropentalen-3a-yl]ethanone
CID 11809460
5,5,9-Trimethyl-1-trimethylsilyldecan-2-one
CID 56989741
1,3-Bis(1,2,2-trimethylcyclopentyl)propan-2-one
CID 67693679
16-(1,2,2-Trimethylcyclopentyl)hexadecan-2-one
CID 67693929
Bis(1,2,2,3-tetramethylcyclopentyl)methanone
CID 122235704
1,3-Bis(2,2-dimethylcyclopentyl)propan-2-one
CID 140148152
1,3-bis[(1R)-1,2,2-trimethylcyclopentyl]propan-2-one
CID 141570847
1,3-bis[(1S)-1,2,2-trimethylcyclopentyl]propan-2-one
CID 141570848

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one?
The IUPAC name of (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one (CID 102247209) is (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one.
What is the SMILES notation for (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one?
The canonical SMILES for (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one is CC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC(C)(C)[C@]2(CCCC2=O)C1.
What is the InChIKey of (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one?
The InChIKey is TXTXUXDCQPTJFW-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)17-12-19(7,8)20(13-17)11-9-10-18(20)21/h14-17H,9-13H2,1-8H3/t17-,20-/m1/s1.
What are the key properties of (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one?
(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-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 (2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one is sourced from PubChem (CID 102247209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).