(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane

C13H22O2 — CID 12916575

IUPAC(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCO[C@H]1C[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C13H22O2/c1-12(2)9-5-6-13(12,3)11-8(9)7-10(14-4)15-11/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11-,13+/m1/s1
InChIKeyLINHJMNHZIUWPG-CJJWORHMSA-N
MW210.32 g/mol
LogP2.82
Rot. Bonds1

About (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane

(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 12916575) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
PubChem CID12916575
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCO[C@H]1C[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C13H22O2/c1-12(2)9-5-6-13(12,3)11-8(9)7-10(14-4)15-11/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11-,13+/m1/s1
InChIKeyLINHJMNHZIUWPG-CJJWORHMSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

(1S,2R,4S,6R,7S)-1,10,10-trimethyl-4-[[(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 97299593
(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
CID 18596078
(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane
CID 70487131
(1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 15091817
(1R,2S,4S,6S,7R)-4-[(2S)-heptan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 15091824
(1R,2R,4S,6R,7R)-4-benzhydryloxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 101004163
(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 10747522
(1R,2S,4R,6S,7R)-1,10,10-trimethyl-4-[(1R)-1-thiophen-2-ylbutoxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 15091803
N-[(2S)-2-(2-chlorophenyl)-2-[[(1S,2S,4S,6S,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]ethyl]propan-2-amine
CID 70356299
[(2S)-3-naphthalen-1-yloxy-2-[[(1R,2S,4R,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]propyl]azanium
CID 23238190
(1R,2R,4S,6R,7R)-4-[(1S)-2-bromo-1-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethoxy]-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 11734082
1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
CID 88759012

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane (CID 12916575) is (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is CO[C@H]1C[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C.
What is the InChIKey of (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is LINHJMNHZIUWPG-CJJWORHMSA-N. The full InChI is InChI=1S/C13H22O2/c1-12(2)9-5-6-13(12,3)11-8(9)7-10(14-4)15-11/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11-,13+/m1/s1.
What are the key properties of (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 210.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 12916575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).