(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one

C15H28O2Si — CID 135039907

IUPAC(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
SMILESC[C@H](C[C@H]1C=CC(=O)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(17-18(5,6)15(2,3)4)11-13-7-9-14(16)10-8-13/h7,9,12-13H,8,10-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyCLZOBSBBBYMRAR-OLZOCXBDSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds4

About (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one

(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one (PubChem CID 135039907) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
PubChem CID135039907
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
SMILESC[C@H](C[C@H]1C=CC(=O)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(17-18(5,6)15(2,3)4)11-13-7-9-14(16)10-8-13/h7,9,12-13H,8,10-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyCLZOBSBBBYMRAR-OLZOCXBDSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
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

(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohept-2-en-1-one
CID 11288654
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohept-2-en-1-one
CID 86593511
6-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 10923561
4-(4-Triethoxysilylpent-4-enyl)cyclohex-2-en-1-one
CID 11461565
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(1S,3E,8E,10E)-1-cyclohexyl-12-methyl-1-triethylsilyloxytrideca-3,8,10-trien-2-one
CID 13186568
4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one
CID 13444889
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
CID 134854811

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
The IUPAC name of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one (CID 135039907) is (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one is C[C@H](C[C@H]1C=CC(=O)CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
The InChIKey is CLZOBSBBBYMRAR-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(17-18(5,6)15(2,3)4)11-13-7-9-14(16)10-8-13/h7,9,12-13H,8,10-11H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one is sourced from PubChem (CID 135039907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).