(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol

C27H56O4Si2 — CID 11016578

IUPAC(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol
SMILESC=CC[C@H](O)C[C@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H56O4Si2/c1-13-14-23(28)17-25-19-26(31-33(20(2)3,21(4)5)22(6)7)18-24(30-25)15-16-29-32(11,12)27(8,9)10/h13,20-26,28H,1,14-19H2,2-12H3/t23-,24-,25-,26+/m0/s1
InChIKeySFXQXTHPMCSYAB-ASDGIDEWSA-N
MW500.91 g/mol
LogP7.83
Rot. Bonds13

About (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol

(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol (PubChem CID 11016578) has the molecular formula C27H56O4Si2 and a molecular weight of 500.91 g/mol. Its IUPAC name is (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol
PubChem CID11016578
Molecular FormulaC27H56O4Si2
Molecular Weight500.91 g/mol
Exact Mass500.37
IUPAC Name(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol
SMILESC=CC[C@H](O)C[C@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H56O4Si2/c1-13-14-23(28)17-25-19-26(31-33(20(2)3,21(4)5)22(6)7)18-24(30-25)15-16-29-32(11,12)27(8,9)10/h13,20-26,28H,1,14-19H2,2-12H3/t23-,24-,25-,26+/m0/s1
InChIKeySFXQXTHPMCSYAB-ASDGIDEWSA-N
XLogP7.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol?
The IUPAC name of (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol (CID 11016578) is (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol.
What is the SMILES notation for (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol?
The canonical SMILES for (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol is C=CC[C@H](O)C[C@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol?
The InChIKey is SFXQXTHPMCSYAB-ASDGIDEWSA-N. The full InChI is InChI=1S/C27H56O4Si2/c1-13-14-23(28)17-25-19-26(31-33(20(2)3,21(4)5)22(6)7)18-24(30-25)15-16-29-32(11,12)27(8,9)10/h13,20-26,28H,1,14-19H2,2-12H3/t23-,24-,25-,26+/m0/s1.
What are the key properties of (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol?
(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol has a molecular weight of 500.91 g/mol, XLogP of 7.83, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol is sourced from PubChem (CID 11016578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).