(1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione

C15H20O6 — CID 71012984

IUPAC(1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione
SMILESCC12OCC3C(=O)OCC3(C)[C@]3(C[C@@H]1O)OC(=O)C[C@@]23C
InChIInChI=1S/C15H20O6/c1-12-7-19-11(18)8(12)6-20-14(3)9(16)4-15(12)13(14,2)5-10(17)21-15/h8-9,16H,4-7H2,1-3H3/t8?,9-,12?,13-,14?,15-/m0/s1
InChIKeyKZXZGURKDBDOED-YSZLTECASA-N
MW296.32 g/mol
LogP0.41
Rot. Bonds

About (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione

(1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione (PubChem CID 71012984) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione.

Molecular Properties

Compound Name(1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione
PubChem CID71012984
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione
SMILESCC12OCC3C(=O)OCC3(C)[C@]3(C[C@@H]1O)OC(=O)C[C@@]23C
InChIInChI=1S/C15H20O6/c1-12-7-19-11(18)8(12)6-20-14(3)9(16)4-15(12)13(14,2)5-10(17)21-15/h8-9,16H,4-7H2,1-3H3/t8?,9-,12?,13-,14?,15-/m0/s1
InChIKeyKZXZGURKDBDOED-YSZLTECASA-N
XLogP0.41
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
The IUPAC name of (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione (CID 71012984) is (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione.
What is the SMILES notation for (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
The canonical SMILES for (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione is CC12OCC3C(=O)OCC3(C)[C@]3(C[C@@H]1O)OC(=O)C[C@@]23C.
What is the InChIKey of (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
The InChIKey is KZXZGURKDBDOED-YSZLTECASA-N. The full InChI is InChI=1S/C15H20O6/c1-12-7-19-11(18)8(12)6-20-14(3)9(16)4-15(12)13(14,2)5-10(17)21-15/h8-9,16H,4-7H2,1-3H3/t8?,9-,12?,13-,14?,15-/m0/s1.
What are the key properties of (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
(1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione has a molecular weight of 296.32 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,15S)-15-hydroxy-2,9,10-trimethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione is sourced from PubChem (CID 71012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).