1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol

C11H20O2 — CID 130128607

IUPAC1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol
SMILESCOC12CCC(CC1)C(C)(C)C2O
InChIInChI=1S/C11H20O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h8-9,12H,4-7H2,1-3H3
InChIKeyHCYHZPXBRZIVKZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds1

About 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol

1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol (PubChem CID 130128607) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol
PubChem CID130128607
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol
SMILESCOC12CCC(CC1)C(C)(C)C2O
InChIInChI=1S/C11H20O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h8-9,12H,4-7H2,1-3H3
InChIKeyHCYHZPXBRZIVKZ-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1S,2R,4S)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 124858995
1-cyclopropyl-1-methoxycyclopentane
CID 59169338
(1R,2R,4R)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 7025480
(1-methoxycyclohexyl)cyclononane
CID 70179360
(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 102084432
(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
CID 124510978
4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol
CID 20821698
(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135369493
4-(1-methoxycyclopentyl)piperidine
CID 130748165
3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol
CID 122495042
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol (CID 130128607) is 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol is COC12CCC(CC1)C(C)(C)C2O.
What is the InChIKey of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol?
The InChIKey is HCYHZPXBRZIVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol?
1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 130128607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).