(1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione

C15H18O6 — CID 71013011

IUPAC(1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione
SMILESCC12C(=O)OCC1(C)[C@]13CC(O)[C@@]4(C)O[C@H]2C14CC(=O)O3
InChIInChI=1S/C15H18O6/c1-11-6-19-10(18)12(11,2)9-14-5-8(17)20-15(11,14)4-7(16)13(14,3)21-9/h7,9,16H,4-6H2,1-3H3/t7?,9-,11?,12?,13-,14?,15-/m1/s1
InChIKeyRJVZPYYKUUJWSI-LAMLLWQPSA-N
MW294.30 g/mol
LogP0.16
Rot. Bonds

About (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione

(1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione (PubChem CID 71013011) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione.

Molecular Properties

Compound Name(1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione
PubChem CID71013011
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name(1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione
SMILESCC12C(=O)OCC1(C)[C@]13CC(O)[C@@]4(C)O[C@H]2C14CC(=O)O3
InChIInChI=1S/C15H18O6/c1-11-6-19-10(18)12(11,2)9-14-5-8(17)20-15(11,14)4-7(16)13(14,3)21-9/h7,9,16H,4-6H2,1-3H3/t7?,9-,11?,12?,13-,14?,15-/m1/s1
InChIKeyRJVZPYYKUUJWSI-LAMLLWQPSA-N
XLogP0.16
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione?
The IUPAC name of (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione (CID 71013011) is (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione.
What is the SMILES notation for (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione?
The canonical SMILES for (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione is CC12C(=O)OCC1(C)[C@]13CC(O)[C@@]4(C)O[C@H]2C14CC(=O)O3.
What is the InChIKey of (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione?
The InChIKey is RJVZPYYKUUJWSI-LAMLLWQPSA-N. The full InChI is InChI=1S/C15H18O6/c1-11-6-19-10(18)12(11,2)9-14-5-8(17)20-15(11,14)4-7(16)13(14,3)21-9/h7,9,16H,4-6H2,1-3H3/t7?,9-,11?,12?,13-,14?,15-/m1/s1.
What are the key properties of (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione?
(1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione has a molecular weight of 294.30 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,9S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione is sourced from PubChem (CID 71013011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).