(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane

C14H24O2 — CID 18596078

IUPAC(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
SMILESCO[C@@H]1CC[C@H]2[C@H]3CC[C@@](C)([C@H]2O1)C3(C)C
InChIInChI=1S/C14H24O2/c1-13(2)10-7-8-14(13,3)12-9(10)5-6-11(15-4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-,14-/m0/s1
InChIKeyDMFUBTOEVNBALF-ZUDIRPEPSA-N
MW224.34 g/mol
LogP3.21
Rot. Bonds1

About (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane

(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane (PubChem CID 18596078) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
PubChem CID18596078
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
SMILESCO[C@@H]1CC[C@H]2[C@H]3CC[C@@](C)([C@H]2O1)C3(C)C
InChIInChI=1S/C14H24O2/c1-13(2)10-7-8-14(13,3)12-9(10)5-6-11(15-4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-,14-/m0/s1
InChIKeyDMFUBTOEVNBALF-ZUDIRPEPSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane with MolForge

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Related Compounds

(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 12916575
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CID 97299593
(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
1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
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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,5R)-2-methoxy-5-[(2R,5S)-5-methoxyoxolan-2-yl]oxolane
CID 71424305
[(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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane?
The IUPAC name of (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane (CID 18596078) is (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane?
The canonical SMILES for (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane is CO[C@@H]1CC[C@H]2[C@H]3CC[C@@](C)([C@H]2O1)C3(C)C.
What is the InChIKey of (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane?
The InChIKey is DMFUBTOEVNBALF-ZUDIRPEPSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(2)10-7-8-14(13,3)12-9(10)5-6-11(15-4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-,14-/m0/s1.
What are the key properties of (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane?
(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane has a molecular weight of 224.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 18596078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).