(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione

C17H24O5 — CID 16745518

IUPAC(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione
SMILESC[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@]2(C)C(=O)CC[C@H]12
InChIInChI=1S/C17H24O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h8-10,12-13,20H,5-7H2,1-4H3/t8-,9-,10+,12-,13-,15+,16+,17?/m1/s1
InChIKeyDMYMNQPXICHRGS-OEHPVWETSA-N
MW308.37 g/mol
LogP1.67
Rot. Bonds

About (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione

(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione (PubChem CID 16745518) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione.

Molecular Properties

Compound Name(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione
PubChem CID16745518
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione
SMILESC[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@]2(C)C(=O)CC[C@H]12
InChIInChI=1S/C17H24O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h8-10,12-13,20H,5-7H2,1-4H3/t8-,9-,10+,12-,13-,15+,16+,17?/m1/s1
InChIKeyDMYMNQPXICHRGS-OEHPVWETSA-N
XLogP1.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione?
The IUPAC name of (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione (CID 16745518) is (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione.
What is the SMILES notation for (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione?
The canonical SMILES for (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione is C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@]2(C)C(=O)CC[C@H]12.
What is the InChIKey of (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione?
The InChIKey is DMYMNQPXICHRGS-OEHPVWETSA-N. The full InChI is InChI=1S/C17H24O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h8-10,12-13,20H,5-7H2,1-4H3/t8-,9-,10+,12-,13-,15+,16+,17?/m1/s1.
What are the key properties of (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione?
(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione has a molecular weight of 308.37 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-3,11-dione is sourced from PubChem (CID 16745518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).