(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one

C18H33FOSi — CID 10805099

IUPAC(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one
SMILESCC(C)[Si](F)(C(C)C)[C@@H]1CC[C@]2(CCCCCCC2=O)C1
InChIInChI=1S/C18H33FOSi/c1-14(2)21(19,15(3)4)16-10-12-18(13-16)11-8-6-5-7-9-17(18)20/h14-16H,5-13H2,1-4H3/t16-,18-/m1/s1
InChIKeyVRYWXRWVZNYNIT-SJLPKXTDSA-N
MW312.55 g/mol
LogP6.19
Rot. Bonds3

About (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one

(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one (PubChem CID 10805099) has the molecular formula C18H33FOSi and a molecular weight of 312.55 g/mol. Its IUPAC name is (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one.

Molecular Properties

Compound Name(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one
PubChem CID10805099
Molecular FormulaC18H33FOSi
Molecular Weight312.55 g/mol
Exact Mass312.23
IUPAC Name(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one
SMILESCC(C)[Si](F)(C(C)C)[C@@H]1CC[C@]2(CCCCCCC2=O)C1
InChIInChI=1S/C18H33FOSi/c1-14(2)21(19,15(3)4)16-10-12-18(13-16)11-8-6-5-7-9-17(18)20/h14-16H,5-13H2,1-4H3/t16-,18-/m1/s1
InChIKeyVRYWXRWVZNYNIT-SJLPKXTDSA-N
XLogP6.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.55
LogP ≤ 56.19
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'}

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Related Compounds

18,18-Dimethyl-1-trimethylsilylnonadecane-3,15-dione
CID 101809462
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
2,2-Dimethyl-4-(trimethylsilylmethyl)nonan-3-one
CID 14902790
1-[(2R,3aS,6aS)-2-tri(propan-2-yl)silyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]ethanone
CID 15891246
(5R,8R)-3,3-dimethyl-8-tri(propan-2-yl)silylspiro[4.4]nonan-4-one
CID 102247206

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one?
The IUPAC name of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one (CID 10805099) is (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one.
What is the SMILES notation for (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one?
The canonical SMILES for (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one is CC(C)[Si](F)(C(C)C)[C@@H]1CC[C@]2(CCCCCCC2=O)C1.
What is the InChIKey of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one?
The InChIKey is VRYWXRWVZNYNIT-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H33FOSi/c1-14(2)21(19,15(3)4)16-10-12-18(13-16)11-8-6-5-7-9-17(18)20/h14-16H,5-13H2,1-4H3/t16-,18-/m1/s1.
What are the key properties of (3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one?
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one has a molecular weight of 312.55 g/mol, XLogP of 6.19, 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[4.7]dodecan-12-one is sourced from PubChem (CID 10805099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).