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

C13H22O2 — CID 54035325

IUPAC(1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCO[C@H]1C[C@H]2[C@@H](O1)[C@@]1(C)CC[C@@H]2C1(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-UYNYGYNWSA-N
MW210.32 g/mol
LogP2.82
Rot. Bonds1

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

(1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 54035325) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
PubChem CID54035325
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCO[C@H]1C[C@H]2[C@@H](O1)[C@@]1(C)CC[C@@H]2C1(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-UYNYGYNWSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane (CID 54035325) is (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is CO[C@H]1C[C@H]2[C@@H](O1)[C@@]1(C)CC[C@@H]2C1(C)C.
What is the InChIKey of (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is LINHJMNHZIUWPG-UYNYGYNWSA-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 (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
(1S,2R,4R,6R,7S)-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 (1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 54035325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).