(6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol

C18H34O4Si — CID 12994838

IUPAC(6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol
SMILESCC1(C)OCC[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@]2(C)O)O1
InChIInChI=1S/C18H34O4Si/c1-15(2,3)23(7,8)21-14-9-10-17(6,19)18(13-14)11-12-20-16(4,5)22-18/h9-10,14,19H,11-13H2,1-8H3/t14-,17-,18+/m0/s1
InChIKeyGRYGSRBBIVKYRO-JCGIZDLHSA-N
MW342.55 g/mol
LogP4.00
Rot. Bonds2

About (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol

(6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol (PubChem CID 12994838) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol.

Molecular Properties

Compound Name(6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol
PubChem CID12994838
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol
SMILESCC1(C)OCC[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@]2(C)O)O1
InChIInChI=1S/C18H34O4Si/c1-15(2,3)23(7,8)21-14-9-10-17(6,19)18(13-14)11-12-20-16(4,5)22-18/h9-10,14,19H,11-13H2,1-8H3/t14-,17-,18+/m0/s1
InChIKeyGRYGSRBBIVKYRO-JCGIZDLHSA-N
XLogP4.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.00
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'}

Analyze (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol?
The IUPAC name of (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol (CID 12994838) is (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol.
What is the SMILES notation for (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol?
The canonical SMILES for (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol is CC1(C)OCC[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@]2(C)O)O1.
What is the InChIKey of (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol?
The InChIKey is GRYGSRBBIVKYRO-JCGIZDLHSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-15(2,3)23(7,8)21-14-9-10-17(6,19)18(13-14)11-12-20-16(4,5)22-18/h9-10,14,19H,11-13H2,1-8H3/t14-,17-,18+/m0/s1.
What are the key properties of (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol?
(6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol has a molecular weight of 342.55 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol is sourced from PubChem (CID 12994838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).