(1S,2S,6S,7R,9S,15S)-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 58682004

IUPAC(1S,2S,6S,7R,9S,15S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione
SMILESC[C@@]12COC(=O)[C@]1(C)[C@@H]1O[C@]3(C)[C@@H](O)C[C@]24OC(=O)CC134
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-/m0/s1
InChIKeyRJVZPYYKUUJWSI-KWYCNKSASA-N
MW294.30 g/mol
LogP0.16
Rot. Bonds

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

(1S,2S,6S,7R,9S,15S)-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 58682004) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is (1S,2S,6S,7R,9S,15S)-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(1S,2S,6S,7R,9S,15S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione
PubChem CID58682004
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name(1S,2S,6S,7R,9S,15S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione
SMILESC[C@@]12COC(=O)[C@]1(C)[C@@H]1O[C@]3(C)[C@@H](O)C[C@]24OC(=O)CC134
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-/m0/s1
InChIKeyRJVZPYYKUUJWSI-KWYCNKSASA-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 (1S,2S,6S,7R,9S,15S)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7R,9S,15S)-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 (1S,2S,6S,7R,9S,15S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione (CID 58682004) is (1S,2S,6S,7R,9S,15S)-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 (1S,2S,6S,7R,9S,15S)-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 (1S,2S,6S,7R,9S,15S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione is C[C@@]12COC(=O)[C@]1(C)[C@@H]1O[C@]3(C)[C@@H](O)C[C@]24OC(=O)CC134.
What is the InChIKey of (1S,2S,6S,7R,9S,15S)-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-KWYCNKSASA-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-/m0/s1.
What are the key properties of (1S,2S,6S,7R,9S,15S)-15-hydroxy-2,6,9-trimethyl-4,8,13-trioxapentacyclo[7.4.2.01,10.02,6.07,10]pentadecane-5,12-dione?
(1S,2S,6S,7R,9S,15S)-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 (1S,2S,6S,7R,9S,15S)-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 58682004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).