(1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one

C15H16O4 — CID 10658991

IUPAC(1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one
SMILESC/C1=C/c2occ(C)c2[C@H]2C=C(CC[C@@H]1O)C(=O)O2
InChIInChI=1S/C15H16O4/c1-8-5-12-14(9(2)7-18-12)13-6-10(15(17)19-13)3-4-11(8)16/h5-7,11,13,16H,3-4H2,1-2H3/b8-5-/t11-,13+/m0/s1
InChIKeyJWFQYTGNEFSYSJ-UGCNIRMFSA-N
MW260.29 g/mol
LogP2.67
Rot. Bonds

About (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one

(1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one (PubChem CID 10658991) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one.

Molecular Properties

Compound Name(1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one
PubChem CID10658991
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one
SMILESC/C1=C/c2occ(C)c2[C@H]2C=C(CC[C@@H]1O)C(=O)O2
InChIInChI=1S/C15H16O4/c1-8-5-12-14(9(2)7-18-12)13-6-10(15(17)19-13)3-4-11(8)16/h5-7,11,13,16H,3-4H2,1-2H3/b8-5-/t11-,13+/m0/s1
InChIKeyJWFQYTGNEFSYSJ-UGCNIRMFSA-N
XLogP2.67
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one?
The IUPAC name of (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one (CID 10658991) is (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one.
What is the SMILES notation for (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one?
The canonical SMILES for (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one is C/C1=C/c2occ(C)c2[C@H]2C=C(CC[C@@H]1O)C(=O)O2.
What is the InChIKey of (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one?
The InChIKey is JWFQYTGNEFSYSJ-UGCNIRMFSA-N. The full InChI is InChI=1S/C15H16O4/c1-8-5-12-14(9(2)7-18-12)13-6-10(15(17)19-13)3-4-11(8)16/h5-7,11,13,16H,3-4H2,1-2H3/b8-5-/t11-,13+/m0/s1.
What are the key properties of (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one?
(1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one has a molecular weight of 260.29 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7Z,9S)-9-hydroxy-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,7,12(15)-tetraen-13-one is sourced from PubChem (CID 10658991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).