(2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol

C18H34O4Si — CID 15077091

IUPAC(2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC#CC[C@@H](O)COC1CCCCO1
InChIInChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)22-14-9-6-7-11-16(19)15-21-17-12-8-10-13-20-17/h16-17,19H,8-15H2,1-5H3/t16-,17?/m1/s1
InChIKeyIIAHUIUZPUFMGG-TZHYSIJRSA-N
MW342.55 g/mol
LogP3.70
Rot. Bonds7

About (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol

(2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol (PubChem CID 15077091) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol.

Molecular Properties

Compound Name(2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol
PubChem CID15077091
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC#CC[C@@H](O)COC1CCCCO1
InChIInChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)22-14-9-6-7-11-16(19)15-21-17-12-8-10-13-20-17/h16-17,19H,8-15H2,1-5H3/t16-,17?/m1/s1
InChIKeyIIAHUIUZPUFMGG-TZHYSIJRSA-N
XLogP3.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 53.70
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol?
The IUPAC name of (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol (CID 15077091) is (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol.
What is the SMILES notation for (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol?
The canonical SMILES for (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol is CC(C)(C)[Si](C)(C)OCCC#CC[C@@H](O)COC1CCCCO1.
What is the InChIKey of (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol?
The InChIKey is IIAHUIUZPUFMGG-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)22-14-9-6-7-11-16(19)15-21-17-12-8-10-13-20-17/h16-17,19H,8-15H2,1-5H3/t16-,17?/m1/s1.
What are the key properties of (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol?
(2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol has a molecular weight of 342.55 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)hept-4-yn-2-ol is sourced from PubChem (CID 15077091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).