(1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one

C10H14O4 — CID 10631809

IUPAC(1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one
SMILESCO[C@H]1C[C@]2(C)O[C@@]3(C)[C@H](O[C@@H]13)C2=O
InChIInChI=1S/C10H14O4/c1-9-4-5(12-3)7-10(2,14-9)8(13-7)6(9)11/h5,7-8H,4H2,1-3H3/t5-,7-,8+,9-,10+/m0/s1
InChIKeyUQFXSLCXSVUEFK-KRGXIBIPSA-N
MW198.22 g/mol
LogP0.29
Rot. Bonds1

About (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one

(1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one (PubChem CID 10631809) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one.

Molecular Properties

Compound Name(1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one
PubChem CID10631809
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one
SMILESCO[C@H]1C[C@]2(C)O[C@@]3(C)[C@H](O[C@@H]13)C2=O
InChIInChI=1S/C10H14O4/c1-9-4-5(12-3)7-10(2,14-9)8(13-7)6(9)11/h5,7-8H,4H2,1-3H3/t5-,7-,8+,9-,10+/m0/s1
InChIKeyUQFXSLCXSVUEFK-KRGXIBIPSA-N
XLogP0.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one with MolForge

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Launch Full Analysis

Related Compounds

(1R,5R,7R)-7-butoxy-5-methyl-8-oxabicyclo[3.2.1]octan-2-one
CID 101436876
6,8-Dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one
CID 130037247
(1S,5R)-1-(ethoxymethyl)-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 59562672
1-(Ethoxymethyl)-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 68730658
(1S*,5S*)-1-ethoxymethyl-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 68730659
6-[4-Oxo-2-(5-oxooxolan-2-yl)oxetan-2-yl]oxan-2-one
CID 91423883
(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 164983071
methyl (1S,5S)-2,2-dimethyl-7-oxo-3,8-dioxabicyclo[3.2.1]octane-1-carboxylate
CID 10798664
(1S,3S,6S,8R)-1-butyl-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one
CID 10823023
(1R,3R,4S,6R,8S)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one
CID 11820050
(5-Acetyl-1-methyl-4-oxo-3,8-dioxabicyclo[3.2.1]octan-6-yl) acetate
CID 14951859
(1S,3S,4S,6S,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one
CID 21586467

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one?
The IUPAC name of (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one (CID 10631809) is (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one.
What is the SMILES notation for (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one?
The canonical SMILES for (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one is CO[C@H]1C[C@]2(C)O[C@@]3(C)[C@H](O[C@@H]13)C2=O.
What is the InChIKey of (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one?
The InChIKey is UQFXSLCXSVUEFK-KRGXIBIPSA-N. The full InChI is InChI=1S/C10H14O4/c1-9-4-5(12-3)7-10(2,14-9)8(13-7)6(9)11/h5,7-8H,4H2,1-3H3/t5-,7-,8+,9-,10+/m0/s1.
What are the key properties of (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one?
(1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one has a molecular weight of 198.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one is sourced from PubChem (CID 10631809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).