trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one

C19H30O2Si — CID 101232144

IUPACtrans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C(=O)CCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H30O2Si/c1-19(2,3)22(4,5)21-14-17-16(12-9-13-18(17)20)15-10-7-6-8-11-15/h6-8,10-11,16-17H,9,12-14H2,1-5H3/t16-,17+/m1/s1
InChIKeyUJMLZZJTKSUUGB-SJORKVTESA-N
MW318.53 g/mol
LogP5.16
Rot. Bonds4

About trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one

trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one (PubChem CID 101232144) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
PubChem CID101232144
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Nametrans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C(=O)CCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H30O2Si/c1-19(2,3)22(4,5)21-14-17-16(12-9-13-18(17)20)15-10-7-6-8-11-15/h6-8,10-11,16-17H,9,12-14H2,1-5H3/t16-,17+/m1/s1
InChIKeyUJMLZZJTKSUUGB-SJORKVTESA-N
XLogP5.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.16
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

(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
(2R,4aR,6S,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-4a,8,9,9a-tetrahydro-4H-[1,3]dioxino[5,4-b]oxepin-7-one
CID 11036619
trimethyl-[(2-phenylcyclohexyl)methoxy]silane
CID 144768157
benzyl (2S,3aS,6aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 162782558
tert-butyl-[[(4S,5S)-2,2-dioxo-5-phenyl-1,3,2-dioxathiolan-4-yl]methoxy]-dimethylsilane
CID 102524605
(6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one
CID 15923317
(1R,2R,3R)-N-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-amine
CID 22885654
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 76787690
(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione
CID 10617741

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one?
The IUPAC name of trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one (CID 101232144) is trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one.
What is the SMILES notation for trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one?
The canonical SMILES for trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C(=O)CCC[C@@H]1c1ccccc1.
What is the InChIKey of trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one?
The InChIKey is UJMLZZJTKSUUGB-SJORKVTESA-N. The full InChI is InChI=1S/C19H30O2Si/c1-19(2,3)22(4,5)21-14-17-16(12-9-13-18(17)20)15-10-7-6-8-11-15/h6-8,10-11,16-17H,9,12-14H2,1-5H3/t16-,17+/m1/s1.
What are the key properties of trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one?
trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one has a molecular weight of 318.53 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one is sourced from PubChem (CID 101232144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).