(3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one

C21H40OSi — CID 102247207

IUPAC(3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCCCCCC2=O)C1
InChIInChI=1S/C21H40OSi/c1-16(2)23(17(3)4,18(5)6)19-12-14-21(15-19)13-10-8-7-9-11-20(21)22/h16-19H,7-15H2,1-6H3/t19-,21-/m1/s1
InChIKeyQOWPEPDETYTTLN-TZIWHRDSSA-N
MW336.64 g/mol
LogP7.13
Rot. Bonds4

About (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one

(3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one (PubChem CID 102247207) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one.

Molecular Properties

Compound Name(3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one
PubChem CID102247207
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Name(3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCCCCCC2=O)C1
InChIInChI=1S/C21H40OSi/c1-16(2)23(17(3)4,18(5)6)19-12-14-21(15-19)13-10-8-7-9-11-20(21)22/h16-19H,7-15H2,1-6H3/t19-,21-/m1/s1
InChIKeyQOWPEPDETYTTLN-TZIWHRDSSA-N
XLogP7.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.13
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
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
(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
3,3-Bis[4-(trimethylsilyl)-3-butynyl]cyclopentanone
CID 12583074
2,2-Dimethyl-4-(trimethylsilylmethyl)nonan-3-one
CID 14902790

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one?
The IUPAC name of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one (CID 102247207) is (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one.
What is the SMILES notation for (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one?
The canonical SMILES for (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one is CC(C)[Si](C(C)C)(C(C)C)[C@@H]1CC[C@]2(CCCCCCC2=O)C1.
What is the InChIKey of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one?
The InChIKey is QOWPEPDETYTTLN-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H40OSi/c1-16(2)23(17(3)4,18(5)6)19-12-14-21(15-19)13-10-8-7-9-11-20(21)22/h16-19H,7-15H2,1-6H3/t19-,21-/m1/s1.
What are the key properties of (3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one?
(3R,5R)-3-tri(propan-2-yl)silylspiro[4.7]dodecan-12-one has a molecular weight of 336.64 g/mol, XLogP of 7.13, 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[4.7]dodecan-12-one is sourced from PubChem (CID 102247207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).