(1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol

C17H34O4Si — CID 122220293

IUPAC(1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1C[C@@H]1[C@@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-9-15(18)13-10-14(13)16(20-11-19-6)12(2)21-22(7,8)17(3,4)5/h9,12-16,18H,1,10-11H2,2-8H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyQVOHTTHEJXZJEY-CWVYHPPDSA-N
MW330.54 g/mol
LogP3.57
Rot. Bonds9

About (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol

(1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol (PubChem CID 122220293) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol
PubChem CID122220293
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1C[C@@H]1[C@@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-9-15(18)13-10-14(13)16(20-11-19-6)12(2)21-22(7,8)17(3,4)5/h9,12-16,18H,1,10-11H2,2-8H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyQVOHTTHEJXZJEY-CWVYHPPDSA-N
XLogP3.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol (CID 122220293) is (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol is C=C[C@@H](O)[C@H]1C[C@@H]1[C@@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol?
The InChIKey is QVOHTTHEJXZJEY-CWVYHPPDSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-9-15(18)13-10-14(13)16(20-11-19-6)12(2)21-22(7,8)17(3,4)5/h9,12-16,18H,1,10-11H2,2-8H3/t12-,13+,14+,15-,16+/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol?
(1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol has a molecular weight of 330.54 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)propyl]cyclopropyl]prop-2-en-1-ol is sourced from PubChem (CID 122220293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).