(2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol

C14H26O3Si — CID 99772389

IUPAC(2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=C[C@H](O)O2
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-12,15H,6-7,9H2,1-5H3/t11-,12-,14+/m1/s1
InChIKeyDHPOBIZBIHIZSY-BZPMIXESSA-N
MW270.44 g/mol
LogP3.20
Rot. Bonds2

About (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol

(2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol (PubChem CID 99772389) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol.

Molecular Properties

Compound Name(2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol
PubChem CID99772389
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=C[C@H](O)O2
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-12,15H,6-7,9H2,1-5H3/t11-,12-,14+/m1/s1
InChIKeyDHPOBIZBIHIZSY-BZPMIXESSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl(dimethyl)silyl (5S,6R)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 10634730
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol
CID 11277249
tert-butyl(dimethyl)silyl (5S,6S)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 99772384
(2S,5S,6R)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-yl acetate
CID 99772388

Frequently Asked Questions

What is the IUPAC name of (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol?
The IUPAC name of (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol (CID 99772389) is (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol.
What is the SMILES notation for (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol?
The canonical SMILES for (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=C[C@H](O)O2.
What is the InChIKey of (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol?
The InChIKey is DHPOBIZBIHIZSY-BZPMIXESSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-12,15H,6-7,9H2,1-5H3/t11-,12-,14+/m1/s1.
What are the key properties of (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol?
(2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol has a molecular weight of 270.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol is sourced from PubChem (CID 99772389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).