(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one

C21H34O4Si — CID 58292531

IUPAC(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one
SMILESC[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](C)C1OCc1ccccc1
InChIInChI=1S/C21H34O4Si/c1-15-19(22)18(14-24-26(6,7)21(3,4)5)25-16(2)20(15)23-13-17-11-9-8-10-12-17/h8-12,15-16,18,20H,13-14H2,1-7H3/t15-,16-,18?,20?/m0/s1
InChIKeyDEEYTLIKABRGDQ-MQFISKJYSA-N
MW378.59 g/mol
LogP4.59
Rot. Bonds6

About (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one

(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one (PubChem CID 58292531) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one.

Molecular Properties

Compound Name(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one
PubChem CID58292531
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one
SMILESC[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](C)C1OCc1ccccc1
InChIInChI=1S/C21H34O4Si/c1-15-19(22)18(14-24-26(6,7)21(3,4)5)25-16(2)20(15)23-13-17-11-9-8-10-12-17/h8-12,15-16,18,20H,13-14H2,1-7H3/t15-,16-,18?,20?/m0/s1
InChIKeyDEEYTLIKABRGDQ-MQFISKJYSA-N
XLogP4.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one with MolForge

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Related Compounds

(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 123841784
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767
tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]-dimethylsilane
CID 14376888
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 10261037
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
(2R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 71166590
(1R,2S,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methylamino)-4,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 44543169
[(2S,3R,4R,5R)-2-acetyloxy-4-[(2S,3S,4R,5R,6S)-5-acetyloxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] benzoate
CID 10985605
tert-butyl-dimethyl-[[(1R,2S,5S,7R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy]silane
CID 11100548

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one?
The IUPAC name of (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one (CID 58292531) is (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one.
What is the SMILES notation for (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one?
The canonical SMILES for (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one is C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](C)C1OCc1ccccc1.
What is the InChIKey of (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one?
The InChIKey is DEEYTLIKABRGDQ-MQFISKJYSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-15-19(22)18(14-24-26(6,7)21(3,4)5)25-16(2)20(15)23-13-17-11-9-8-10-12-17/h8-12,15-16,18,20H,13-14H2,1-7H3/t15-,16-,18?,20?/m0/s1.
What are the key properties of (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one?
(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one has a molecular weight of 378.59 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one is sourced from PubChem (CID 58292531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).