2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol

C23H36O4 — CID 102034638

IUPAC2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol
SMILESCC1=CC[C@H]2O[C@H]1CC/C(C)=C/C=C(/C(C)(C)O)C[C@@H]1OC(C)(C)O[C@@]12C
InChIInChI=1S/C23H36O4/c1-15-8-11-17(21(3,4)24)14-20-23(7,27-22(5,6)26-20)19-13-10-16(2)18(25-19)12-9-15/h8,10-11,18-20,24H,9,12-14H2,1-7H3/b15-8+,17-11+/t18-,19+,20-,23+/m0/s1
InChIKeyCGBKUBQXKARVHI-CAEDZTFUSA-N
MW376.54 g/mol
LogP4.83
Rot. Bonds1

About 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol

2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol (PubChem CID 102034638) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol
PubChem CID102034638
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Name2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol
SMILESCC1=CC[C@H]2O[C@H]1CC/C(C)=C/C=C(/C(C)(C)O)C[C@@H]1OC(C)(C)O[C@@]12C
InChIInChI=1S/C23H36O4/c1-15-8-11-17(21(3,4)24)14-20-23(7,27-22(5,6)26-20)19-13-10-16(2)18(25-19)12-9-15/h8,10-11,18-20,24H,9,12-14H2,1-7H3/b15-8+,17-11+/t18-,19+,20-,23+/m0/s1
InChIKeyCGBKUBQXKARVHI-CAEDZTFUSA-N
XLogP4.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol?
The IUPAC name of 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol (CID 102034638) is 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol is CC1=CC[C@H]2O[C@H]1CC/C(C)=C/C=C(/C(C)(C)O)C[C@@H]1OC(C)(C)O[C@@]12C.
What is the InChIKey of 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol?
The InChIKey is CGBKUBQXKARVHI-CAEDZTFUSA-N. The full InChI is InChI=1S/C23H36O4/c1-15-8-11-17(21(3,4)24)14-20-23(7,27-22(5,6)26-20)19-13-10-16(2)18(25-19)12-9-15/h8,10-11,18-20,24H,9,12-14H2,1-7H3/b15-8+,17-11+/t18-,19+,20-,23+/m0/s1.
What are the key properties of 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol?
2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol has a molecular weight of 376.54 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,6S,8E,10E,14S)-2,4,4,11,15-pentamethyl-3,5,18-trioxatricyclo[12.3.1.02,6]octadeca-8,10,15-trien-8-yl]propan-2-ol is sourced from PubChem (CID 102034638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).