(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol

C30H46O6Si — CID 10437043

IUPAC(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol
SMILESCOCOC1C(C)C1C(O)[C@H](OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C30H46O6Si/c1-22-26(28(22)35-21-32-5)27(31)29(34-19-24-16-12-9-13-17-24)25(20-36-37(6,7)30(2,3)4)33-18-23-14-10-8-11-15-23/h8-17,22,25-29,31H,18-21H2,1-7H3/t22?,25-,26?,27?,28?,29-/m1/s1
InChIKeyDVWYGIYQAPDDKP-BMOMFYFGSA-N
MW530.78 g/mol
LogP5.79
Rot. Bonds15

About (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol

(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol (PubChem CID 10437043) has the molecular formula C30H46O6Si and a molecular weight of 530.78 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol
PubChem CID10437043
Molecular FormulaC30H46O6Si
Molecular Weight530.78 g/mol
Exact Mass530.31
IUPAC Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol
SMILESCOCOC1C(C)C1C(O)[C@H](OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C30H46O6Si/c1-22-26(28(22)35-21-32-5)27(31)29(34-19-24-16-12-9-13-17-24)25(20-36-37(6,7)30(2,3)4)33-18-23-14-10-8-11-15-23/h8-17,22,25-29,31H,18-21H2,1-7H3/t22?,25-,26?,27?,28?,29-/m1/s1
InChIKeyDVWYGIYQAPDDKP-BMOMFYFGSA-N
XLogP5.79
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.78
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2R,3S,4S,5R)-5-(1,3-dithiolan-2-yl)-2,3,4,5-tetrakis(phenylmethoxy)pentoxy]-dimethylsilane
CID 102308416
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896
(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide
CID 56935062
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
CID 42644288
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(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
(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine
CID 11828294
benzyl N-[(2S,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-hydroxy-4-phenylmethoxypentyl]carbamate
CID 24800995
(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-ethenyl-2-phenylmethoxyheptan-3-ol
CID 101378913
(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one
CID 10024507

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol?
The IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol (CID 10437043) is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol?
The canonical SMILES for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol is COCOC1C(C)C1C(O)[C@H](OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol?
The InChIKey is DVWYGIYQAPDDKP-BMOMFYFGSA-N. The full InChI is InChI=1S/C30H46O6Si/c1-22-26(28(22)35-21-32-5)27(31)29(34-19-24-16-12-9-13-17-24)25(20-36-37(6,7)30(2,3)4)33-18-23-14-10-8-11-15-23/h8-17,22,25-29,31H,18-21H2,1-7H3/t22?,25-,26?,27?,28?,29-/m1/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol?
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol has a molecular weight of 530.78 g/mol, XLogP of 5.79, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol is sourced from PubChem (CID 10437043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).