(1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one

C10H16O3 — CID 46217723

IUPAC(1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one
SMILESC[C@@H]1C[C@@H](C)[C@H]2O[C@@H]1OC(=O)[C@@H]2C
InChIInChI=1S/C10H16O3/c1-5-4-6(2)10-12-8(5)7(3)9(11)13-10/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-,10-/m1/s1
InChIKeySROGXPUGWPBIFO-VRRGKTLJSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds

About (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one

(1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one (PubChem CID 46217723) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one
PubChem CID46217723
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one
SMILESC[C@@H]1C[C@@H](C)[C@H]2O[C@@H]1OC(=O)[C@@H]2C
InChIInChI=1S/C10H16O3/c1-5-4-6(2)10-12-8(5)7(3)9(11)13-10/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-,10-/m1/s1
InChIKeySROGXPUGWPBIFO-VRRGKTLJSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one (CID 46217723) is (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one is C[C@@H]1C[C@@H](C)[C@H]2O[C@@H]1OC(=O)[C@@H]2C.
What is the InChIKey of (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one?
The InChIKey is SROGXPUGWPBIFO-VRRGKTLJSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-4-6(2)10-12-8(5)7(3)9(11)13-10/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-,10-/m1/s1.
What are the key properties of (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one?
(1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6R,8R)-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 46217723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).