(1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol

C13H20O5 — CID 10945041

IUPAC(1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H](O)C=C[C@@H]1OC(C)(C)O[C@@H]21
InChIInChI=1S/C13H20O5/c1-12(2)15-8-6-5-7(14)9-11(10(8)17-12)18-13(3,4)16-9/h5-11,14H,1-4H3/t7-,8+,9-,10-,11-/m1/s1
InChIKeyZVBPVFGXUAZFLM-RCZSTQMZSA-N
MW256.30 g/mol
LogP0.96
Rot. Bonds

About (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol

(1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol (PubChem CID 10945041) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol.

Molecular Properties

Compound Name(1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol
PubChem CID10945041
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name(1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H](O)C=C[C@@H]1OC(C)(C)O[C@@H]21
InChIInChI=1S/C13H20O5/c1-12(2)15-8-6-5-7(14)9-11(10(8)17-12)18-13(3,4)16-9/h5-11,14H,1-4H3/t7-,8+,9-,10-,11-/m1/s1
InChIKeyZVBPVFGXUAZFLM-RCZSTQMZSA-N
XLogP0.96
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol?
The IUPAC name of (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol (CID 10945041) is (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol.
What is the SMILES notation for (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol?
The canonical SMILES for (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol is CC1(C)O[C@@H]2[C@H](O1)[C@H](O)C=C[C@@H]1OC(C)(C)O[C@@H]21.
What is the InChIKey of (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol?
The InChIKey is ZVBPVFGXUAZFLM-RCZSTQMZSA-N. The full InChI is InChI=1S/C13H20O5/c1-12(2)15-8-6-5-7(14)9-11(10(8)17-12)18-13(3,4)16-9/h5-11,14H,1-4H3/t7-,8+,9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol?
(1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol has a molecular weight of 256.30 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7R,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-ol is sourced from PubChem (CID 10945041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).