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

C15H28O2Si — CID 135016080

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

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

(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one (PubChem CID 135016080) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one
PubChem CID135016080
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C=CC(=O)CC1
InChIInChI=1S/C15H28O2Si/c1-12(13-7-9-14(16)10-8-13)11-17-18(5,6)15(2,3)4/h7,9,12-13H,8,10-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyNBPGSHFCZVYLCH-OLZOCXBDSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one (CID 135016080) is (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C=CC(=O)CC1.
What is the InChIKey of (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one?
The InChIKey is NBPGSHFCZVYLCH-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(13-7-9-14(16)10-8-13)11-17-18(5,6)15(2,3)4/h7,9,12-13H,8,10-11H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one?
(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 135016080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).