(6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

C15H24O6 — CID 135024919

IUPAC(6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
SMILESC=CCOCC1O[C@@H]2OC(C)(C)OC2C2OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H24O6/c1-6-7-16-8-9-10-11(19-14(2,3)18-10)12-13(17-9)21-15(4,5)20-12/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11?,12?,13+/m0/s1
InChIKeyGEJMFTVJWXRTQJ-ZHYIQUJTSA-N
MW300.35 g/mol
LogP1.59
Rot. Bonds4

About (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

(6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane (PubChem CID 135024919) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
PubChem CID135024919
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
SMILESC=CCOCC1O[C@@H]2OC(C)(C)OC2C2OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H24O6/c1-6-7-16-8-9-10-11(19-14(2,3)18-10)12-13(17-9)21-15(4,5)20-12/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11?,12?,13+/m0/s1
InChIKeyGEJMFTVJWXRTQJ-ZHYIQUJTSA-N
XLogP1.59
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane (CID 135024919) is (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane is C=CCOCC1O[C@@H]2OC(C)(C)OC2C2OC(C)(C)O[C@@H]12.
What is the InChIKey of (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The InChIKey is GEJMFTVJWXRTQJ-ZHYIQUJTSA-N. The full InChI is InChI=1S/C15H24O6/c1-6-7-16-8-9-10-11(19-14(2,3)18-10)12-13(17-9)21-15(4,5)20-12/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11?,12?,13+/m0/s1.
What are the key properties of (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
(6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane has a molecular weight of 300.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9S)-4,4,11,11-tetramethyl-8-(prop-2-enoxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 135024919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).