(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate

C13H20O3 — CID 147768354

IUPAC(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate
SMILESCC(=O)OC12CC3CC(C)(CC(C)(O)C1)C32
InChIInChI=1S/C13H20O3/c1-8(14)16-13-5-9-4-11(2,10(9)13)6-12(3,15)7-13/h9-10,15H,4-7H2,1-3H3
InChIKeyHFLFHVLTRJJORX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.88
Rot. Bonds1

About (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate

(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate (PubChem CID 147768354) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate.

Molecular Properties

Compound Name(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate
PubChem CID147768354
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate
SMILESCC(=O)OC12CC3CC(C)(CC(C)(O)C1)C32
InChIInChI=1S/C13H20O3/c1-8(14)16-13-5-9-4-11(2,10(9)13)6-12(3,15)7-13/h9-10,15H,4-7H2,1-3H3
InChIKeyHFLFHVLTRJJORX-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate?
The IUPAC name of (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate (CID 147768354) is (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate.
What is the SMILES notation for (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate?
The canonical SMILES for (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate is CC(=O)OC12CC3CC(C)(CC(C)(O)C1)C32.
What is the InChIKey of (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate?
The InChIKey is HFLFHVLTRJJORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8(14)16-13-5-9-4-11(2,10(9)13)6-12(3,15)7-13/h9-10,15H,4-7H2,1-3H3.
What are the key properties of (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate?
(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate has a molecular weight of 224.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate is sourced from PubChem (CID 147768354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).