(1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane

C11H20O2 — CID 102177583

IUPAC(1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane
SMILESCOC1C[C@]2(C)CCC[C@](C)(C1)O2
InChIInChI=1S/C11H20O2/c1-10-5-4-6-11(2,13-10)8-9(7-10)12-3/h9H,4-8H2,1-3H3/t9?,10-,11+
InChIKeyHBDQUXWNQDKJNU-FGWVZKOKSA-N
MW184.28 g/mol
LogP2.51
Rot. Bonds1

About (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane

(1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane (PubChem CID 102177583) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane
PubChem CID102177583
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane
SMILESCOC1C[C@]2(C)CCC[C@](C)(C1)O2
InChIInChI=1S/C11H20O2/c1-10-5-4-6-11(2,13-10)8-9(7-10)12-3/h9H,4-8H2,1-3H3/t9?,10-,11+
InChIKeyHBDQUXWNQDKJNU-FGWVZKOKSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-7-methoxy-5-oxaspiro[3.4]octane
CID 162176613
2-methoxyspiro[3.5]nonane
CID 162724743
6-methoxy-2-oxaspiro[3.3]heptane
CID 90127740
1-(2-methoxy-6-methyl-5-oxaspiro[3.4]octan-6-yl)-N-methylmethanamine
CID 130584049
1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 23049577
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
3-methoxyspiro[4.4]nonane
CID 129102731
(5S,6S)-6-methoxy-4-oxadispiro[2.1.25.33]decane
CID 163836885
5-methoxy-2,2-dimethyl-1,3-dioxane
CID 59156430
1,1,3-trimethoxycycloheptane
CID 86078996
ethane;2-methoxy-7-azaspiro[3.5]nonane
CID 170581485
(4R)-4-methoxy-2,2-dimethyloxane
CID 170120982

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane (CID 102177583) is (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane is COC1C[C@]2(C)CCC[C@](C)(C1)O2.
What is the InChIKey of (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
The InChIKey is HBDQUXWNQDKJNU-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H20O2/c1-10-5-4-6-11(2,13-10)8-9(7-10)12-3/h9H,4-8H2,1-3H3/t9?,10-,11+.
What are the key properties of (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane?
(1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane has a molecular weight of 184.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 102177583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).