(3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione

C15H18O5 — CID 162643161

IUPAC(3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione
SMILESC[C@@H]1C(=O)O[C@H]2CC3=C[C@@H](C[C@@](C)(O)/C=C/[C@@H]21)OC3=O
InChIInChI=1S/C15H18O5/c1-8-11-3-4-15(2,18)7-10-5-9(14(17)19-10)6-12(11)20-13(8)16/h3-5,8,10-12,18H,6-7H2,1-2H3/b4-3+/t8-,10-,11+,12-,15-/m0/s1
InChIKeyPFJAKPWQAPCECT-DJUSWWOQSA-N
MW278.30 g/mol
LogP1.12
Rot. Bonds

About (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione

(3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione (PubChem CID 162643161) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione.

Molecular Properties

Compound Name(3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione
PubChem CID162643161
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione
SMILESC[C@@H]1C(=O)O[C@H]2CC3=C[C@@H](C[C@@](C)(O)/C=C/[C@@H]21)OC3=O
InChIInChI=1S/C15H18O5/c1-8-11-3-4-15(2,18)7-10-5-9(14(17)19-10)6-12(11)20-13(8)16/h3-5,8,10-12,18H,6-7H2,1-2H3/b4-3+/t8-,10-,11+,12-,15-/m0/s1
InChIKeyPFJAKPWQAPCECT-DJUSWWOQSA-N
XLogP1.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione?
The IUPAC name of (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione (CID 162643161) is (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione.
What is the SMILES notation for (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione?
The canonical SMILES for (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione is C[C@@H]1C(=O)O[C@H]2CC3=C[C@@H](C[C@@](C)(O)/C=C/[C@@H]21)OC3=O.
What is the InChIKey of (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione?
The InChIKey is PFJAKPWQAPCECT-DJUSWWOQSA-N. The full InChI is InChI=1S/C15H18O5/c1-8-11-3-4-15(2,18)7-10-5-9(14(17)19-10)6-12(11)20-13(8)16/h3-5,8,10-12,18H,6-7H2,1-2H3/b4-3+/t8-,10-,11+,12-,15-/m0/s1.
What are the key properties of (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione?
(3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione has a molecular weight of 278.30 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione is sourced from PubChem (CID 162643161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).