(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol

C29H46O3Si2 — CID 122220290

IUPAC(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H46O3Si2/c1-22(32-33(8,9)28(2,3)4)27(30)26-20-23(26)21-31-34(29(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,22-23,26-27,30H,20-21H2,1-9H3/t22-,23-,26+,27+/m1/s1
InChIKeyCDWHTMLGOWEBGX-YWUUFRFPSA-N
MW498.86 g/mol
LogP5.97
Rot. Bonds9

About (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol

(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol (PubChem CID 122220290) has the molecular formula C29H46O3Si2 and a molecular weight of 498.86 g/mol. Its IUPAC name is (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
PubChem CID122220290
Molecular FormulaC29H46O3Si2
Molecular Weight498.86 g/mol
Exact Mass498.30
IUPAC Name(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H46O3Si2/c1-22(32-33(8,9)28(2,3)4)27(30)26-20-23(26)21-31-34(29(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,22-23,26-27,30H,20-21H2,1-9H3/t22-,23-,26+,27+/m1/s1
InChIKeyCDWHTMLGOWEBGX-YWUUFRFPSA-N
XLogP5.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.86
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol
CID 11133052
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium
CID 174054652
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(NE,R)-N-[(2R)-2-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propylidene]-2-methylpropane-2-sulfinamide
CID 71763875
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol?
The IUPAC name of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol (CID 122220290) is (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol.
What is the SMILES notation for (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol?
The canonical SMILES for (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol?
The InChIKey is CDWHTMLGOWEBGX-YWUUFRFPSA-N. The full InChI is InChI=1S/C29H46O3Si2/c1-22(32-33(8,9)28(2,3)4)27(30)26-20-23(26)21-31-34(29(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,22-23,26-27,30H,20-21H2,1-9H3/t22-,23-,26+,27+/m1/s1.
What are the key properties of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol?
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol has a molecular weight of 498.86 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol is sourced from PubChem (CID 122220290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).