(2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one

C18H32O2Si — CID 124827095

IUPAC(2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1[C@@H]1CCCCC1=O
InChIInChI=1S/C18H32O2Si/c1-13-14(15-9-7-8-10-16(15)19)11-12-17(13)20-21(5,6)18(2,3)4/h14-15H,7-12H2,1-6H3/t14-,15-/m0/s1
InChIKeyFUNJIQMBIISMQQ-GJZGRUSLSA-N
MW308.54 g/mol
LogP5.45
Rot. Bonds3

About (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one

(2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one (PubChem CID 124827095) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one
PubChem CID124827095
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name(2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1[C@@H]1CCCCC1=O
InChIInChI=1S/C18H32O2Si/c1-13-14(15-9-7-8-10-16(15)19)11-12-17(13)20-21(5,6)18(2,3)4/h14-15H,7-12H2,1-6H3/t14-,15-/m0/s1
InChIKeyFUNJIQMBIISMQQ-GJZGRUSLSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
CID 11395717
4-[Tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
CID 14655767
2-[3-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
CID 164667305
(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one
CID 125113916
7a-methyl-1-(6-methyl-6-trimethylsilyloxyheptan-2-yl)-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 23382366
(7aS)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 54223071
(7aS)-7a-methyl-1-(6-methyl-6-trimethylsilyloxyheptan-2-yl)-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 54223072
(7aS)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 54461900
(3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 57136843
(2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-2-hepta-3,4-dienylcyclopent-3-en-1-one
CID 57200192
(3aR,7aS)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 59910685
(3aR,7aS)-7a-methyl-1-[(2R)-4-methyl-4-trimethylsilyloxypentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 71189004

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one (CID 124827095) is (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one is CC1=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1[C@@H]1CCCCC1=O.
What is the InChIKey of (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one?
The InChIKey is FUNJIQMBIISMQQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-13-14(15-9-7-8-10-16(15)19)11-12-17(13)20-21(5,6)18(2,3)4/h14-15H,7-12H2,1-6H3/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one?
(2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one has a molecular weight of 308.54 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one is sourced from PubChem (CID 124827095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).