[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol

C24H34O4Si — CID 177392831

IUPAC[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol
SMILESCOCOC[C@H]1[C@@H](CO)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O4Si/c1-24(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-17-23-21(15-25)22(23)16-27-18-26-4/h5-14,21-23,25H,15-18H2,1-4H3/t21-,22+,23+/m1/s1
InChIKeyWELGYNMZZGPVLA-VJBWXMMDSA-N
MW414.62 g/mol
LogP3.04
Rot. Bonds10

About [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol

[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol (PubChem CID 177392831) has the molecular formula C24H34O4Si and a molecular weight of 414.62 g/mol. Its IUPAC name is [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol
PubChem CID177392831
Molecular FormulaC24H34O4Si
Molecular Weight414.62 g/mol
Exact Mass414.22
IUPAC Name[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol
SMILESCOCOC[C@H]1[C@@H](CO)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O4Si/c1-24(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-17-23-21(15-25)22(23)16-27-18-26-4/h5-14,21-23,25H,15-18H2,1-4H3/t21-,22+,23+/m1/s1
InChIKeyWELGYNMZZGPVLA-VJBWXMMDSA-N
XLogP3.04
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
[(2S,3S,5R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 91510832
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(1R,4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)cyclohex-2-en-1-ol
CID 15981598
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(methoxymethoxy)-3-methylpent-1-en-3-ol
CID 102195851
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol (CID 177392831) is [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol is COCOC[C@H]1[C@@H](CO)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol?
The InChIKey is WELGYNMZZGPVLA-VJBWXMMDSA-N. The full InChI is InChI=1S/C24H34O4Si/c1-24(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-17-23-21(15-25)22(23)16-27-18-26-4/h5-14,21-23,25H,15-18H2,1-4H3/t21-,22+,23+/m1/s1.
What are the key properties of [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol?
[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol has a molecular weight of 414.62 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 177392831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).