(1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione

C14H14O4 — CID 14164941

IUPAC(1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione
SMILESC[C@@H]1[C@H]2C[C@@]3(C)C(=O)c4ccoc4C[C@@]13C(=O)O2
InChIInChI=1S/C14H14O4/c1-7-9-5-13(2)11(15)8-3-4-17-10(8)6-14(7,13)12(16)18-9/h3-4,7,9H,5-6H2,1-2H3/t7-,9-,13+,14+/m1/s1
InChIKeyVELKOVXJPRJRNU-FFQAGHOLSA-N
MW246.26 g/mol
LogP1.98
Rot. Bonds

About (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione

(1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione (PubChem CID 14164941) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione.

Molecular Properties

Compound Name(1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione
PubChem CID14164941
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione
SMILESC[C@@H]1[C@H]2C[C@@]3(C)C(=O)c4ccoc4C[C@@]13C(=O)O2
InChIInChI=1S/C14H14O4/c1-7-9-5-13(2)11(15)8-3-4-17-10(8)6-14(7,13)12(16)18-9/h3-4,7,9H,5-6H2,1-2H3/t7-,9-,13+,14+/m1/s1
InChIKeyVELKOVXJPRJRNU-FFQAGHOLSA-N
XLogP1.98
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione?
The IUPAC name of (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione (CID 14164941) is (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione.
What is the SMILES notation for (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione?
The canonical SMILES for (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione is C[C@@H]1[C@H]2C[C@@]3(C)C(=O)c4ccoc4C[C@@]13C(=O)O2.
What is the InChIKey of (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione?
The InChIKey is VELKOVXJPRJRNU-FFQAGHOLSA-N. The full InChI is InChI=1S/C14H14O4/c1-7-9-5-13(2)11(15)8-3-4-17-10(8)6-14(7,13)12(16)18-9/h3-4,7,9H,5-6H2,1-2H3/t7-,9-,13+,14+/m1/s1.
What are the key properties of (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione?
(1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione has a molecular weight of 246.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione is sourced from PubChem (CID 14164941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).