(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

C18H24OSi — CID 134901133

IUPAC(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)C=C2CCCC[C@H]21
InChIInChI=1S/C18H24OSi/c1-20(2,16-9-4-3-5-10-16)18-13-15(19)12-14-8-6-7-11-17(14)18/h3-5,9-10,12,17-18H,6-8,11,13H2,1-2H3/t17-,18-/m1/s1
InChIKeyCCEDQPTVIBTCIA-QZTJIDSGSA-N
MW284.47 g/mol
LogP4.06
Rot. Bonds2

About (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (PubChem CID 134901133) has the molecular formula C18H24OSi and a molecular weight of 284.47 g/mol. Its IUPAC name is (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.

Molecular Properties

Compound Name(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
PubChem CID134901133
Molecular FormulaC18H24OSi
Molecular Weight284.47 g/mol
Exact Mass284.16
IUPAC Name(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)C=C2CCCC[C@H]21
InChIInChI=1S/C18H24OSi/c1-20(2,16-9-4-3-5-10-16)18-13-15(19)12-14-8-6-7-11-17(14)18/h3-5,9-10,12,17-18H,6-8,11,13H2,1-2H3/t17-,18-/m1/s1
InChIKeyCCEDQPTVIBTCIA-QZTJIDSGSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one with MolForge

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Related Compounds

4-benzyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 155676565
dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937
cyclopentyl-dimethyl-phenylsilane
CID 59962320
(8S,8aR)-8-ethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
CID 100957266
dimethyl-(2-methylidenecyclohexyl)-phenylsilane
CID 13299161
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 90726871
(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one
CID 134948232
dimethyl-(3-methylcyclohex-2-en-1-yl)-phenylsilane
CID 10421400
(5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one
CID 11739024
3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
CID 18402284
(7R,7aS)-7-ethyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 124661281
(1S,7aS)-1-phenyl-1,4,5,6,7,7a-hexahydro-2-benzofuran
CID 11241081

Frequently Asked Questions

What is the IUPAC name of (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The IUPAC name of (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (CID 134901133) is (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.
What is the SMILES notation for (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The canonical SMILES for (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is C[Si](C)(c1ccccc1)[C@@H]1CC(=O)C=C2CCCC[C@H]21.
What is the InChIKey of (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The InChIKey is CCEDQPTVIBTCIA-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H24OSi/c1-20(2,16-9-4-3-5-10-16)18-13-15(19)12-14-8-6-7-11-17(14)18/h3-5,9-10,12,17-18H,6-8,11,13H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one has a molecular weight of 284.47 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is sourced from PubChem (CID 134901133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).