(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one

C22H38O2Si — CID 125113916

IUPAC(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one
SMILESC=C(C)[C@H]1CC(O[Si](CC)(CC)CC)=C(C)[C@H]([C@H]2CCCCC2=O)C1
InChIInChI=1S/C22H38O2Si/c1-7-25(8-2,9-3)24-22-15-18(16(4)5)14-20(17(22)6)19-12-10-11-13-21(19)23/h18-20H,4,7-15H2,1-3,5-6H3/t18-,19-,20-/m1/s1
InChIKeyREFSYZJTXZPYAB-VAMGGRTRSA-N
MW362.63 g/mol
LogP6.64
Rot. Bonds7

About (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one

(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one (PubChem CID 125113916) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one
PubChem CID125113916
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one
SMILESC=C(C)[C@H]1CC(O[Si](CC)(CC)CC)=C(C)[C@H]([C@H]2CCCCC2=O)C1
InChIInChI=1S/C22H38O2Si/c1-7-25(8-2,9-3)24-22-15-18(16(4)5)14-20(17(22)6)19-12-10-11-13-21(19)23/h18-20H,4,7-15H2,1-3,5-6H3/t18-,19-,20-/m1/s1
InChIKeyREFSYZJTXZPYAB-VAMGGRTRSA-N
XLogP6.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
(4aS,5S,9aR)-7-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilyl-1,2,3,4,4a,5,8,9a-octahydrobenzo[7]annulen-9-one
CID 14944237
3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
CID 15071506
(3aR,9aS,9bR)-5-[tert-butyl(dimethyl)silyl]oxy-3a,4,6,7,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-1-one
CID 44475636
(3R,4aS,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
CID 44632082
1-[(1R,2S,5S)-2,5-dimethyl-4-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]propan-1-one
CID 102257272
1-[(1R,2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylcyclohex-3-en-1-yl]propan-1-one
CID 102257278
1-[(1R,2S)-2-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]propan-1-one
CID 102257279
(3S,4aR,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
CID 134889297
(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-heptyl-6-trimethylsilylcyclooct-4-en-1-one
CID 135068100
(3aS,9aS,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a,4,6,7,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-one
CID 139252599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one (CID 125113916) is (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one is C=C(C)[C@H]1CC(O[Si](CC)(CC)CC)=C(C)[C@H]([C@H]2CCCCC2=O)C1.
What is the InChIKey of (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
The InChIKey is REFSYZJTXZPYAB-VAMGGRTRSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-7-25(8-2,9-3)24-22-15-18(16(4)5)14-20(17(22)6)19-12-10-11-13-21(19)23/h18-20H,4,7-15H2,1-3,5-6H3/t18-,19-,20-/m1/s1.
What are the key properties of (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one?
(2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one has a molecular weight of 362.63 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,5R)-2-methyl-5-prop-1-en-2-yl-3-triethylsilyloxycyclohex-2-en-1-yl]cyclohexan-1-one is sourced from PubChem (CID 125113916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).