(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol

C23H48O5Si2 — CID 10479392

IUPAC(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)(/C=C\COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si2/c1-21(2,3)29(7,8)27-18-23(24,19-28-30(9,10)22(4,5)6)15-13-17-26-20-14-11-12-16-25-20/h13,15,20,24H,11-12,14,16-19H2,1-10H3/b15-13-
InChIKeyMOVYXYQLBYOPQN-SQFISAMPSA-N
MW460.80 g/mol
LogP5.86
Rot. Bonds10

About (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol

(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol (PubChem CID 10479392) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol
PubChem CID10479392
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)(/C=C\COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si2/c1-21(2,3)29(7,8)27-18-23(24,19-28-30(9,10)22(4,5)6)15-13-17-26-20-14-11-12-16-25-20/h13,15,20,24H,11-12,14,16-19H2,1-10H3/b15-13-
InChIKeyMOVYXYQLBYOPQN-SQFISAMPSA-N
XLogP5.86
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol?
The IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol (CID 10479392) is (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol.
What is the SMILES notation for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol?
The canonical SMILES for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol is CC(C)(C)[Si](C)(C)OCC(O)(/C=C\COC1CCCCO1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol?
The InChIKey is MOVYXYQLBYOPQN-SQFISAMPSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-21(2,3)29(7,8)27-18-23(24,19-28-30(9,10)22(4,5)6)15-13-17-26-20-14-11-12-16-25-20/h13,15,20,24H,11-12,14,16-19H2,1-10H3/b15-13-.
What are the key properties of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol?
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol has a molecular weight of 460.80 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol is sourced from PubChem (CID 10479392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).