6,6-dimethoxybicyclo[2.2.2]octan-2-ol

C10H18O3 — CID 130145453

IUPAC6,6-dimethoxybicyclo[2.2.2]octan-2-ol
SMILESCOC1(OC)CC2CCC1C(O)C2
InChIInChI=1S/C10H18O3/c1-12-10(13-2)6-7-3-4-8(10)9(11)5-7/h7-9,11H,3-6H2,1-2H3
InChIKeyKSJHNGSXEIMOHE-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.16
Rot. Bonds2

About 6,6-dimethoxybicyclo[2.2.2]octan-2-ol

6,6-dimethoxybicyclo[2.2.2]octan-2-ol (PubChem CID 130145453) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6,6-dimethoxybicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name6,6-dimethoxybicyclo[2.2.2]octan-2-ol
PubChem CID130145453
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6,6-dimethoxybicyclo[2.2.2]octan-2-ol
SMILESCOC1(OC)CC2CCC1C(O)C2
InChIInChI=1S/C10H18O3/c1-12-10(13-2)6-7-3-4-8(10)9(11)5-7/h7-9,11H,3-6H2,1-2H3
InChIKeyKSJHNGSXEIMOHE-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.2]octane-2,2,6-triol
CID 141006652
(1R,2S,3S,5R)-2-bromo-6,6-dimethoxybicyclo[3.2.0]heptan-3-ol
CID 12952574
6,6-dimethoxybicyclo[3.2.1]octan-3-ol
CID 130147004
(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol
CID 102394801
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915
2,2-dihydroperoxybicyclo[2.2.1]heptane
CID 134965328
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol
CID 130977558
bicyclo[2.2.1]heptan-2-ol;methoxy(trimethyl)silane
CID 158307954
1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane
CID 15169420
3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol
CID 149051816

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxybicyclo[2.2.2]octan-2-ol?
The IUPAC name of 6,6-dimethoxybicyclo[2.2.2]octan-2-ol (CID 130145453) is 6,6-dimethoxybicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 6,6-dimethoxybicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 6,6-dimethoxybicyclo[2.2.2]octan-2-ol is COC1(OC)CC2CCC1C(O)C2.
What is the InChIKey of 6,6-dimethoxybicyclo[2.2.2]octan-2-ol?
The InChIKey is KSJHNGSXEIMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-10(13-2)6-7-3-4-8(10)9(11)5-7/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 6,6-dimethoxybicyclo[2.2.2]octan-2-ol?
6,6-dimethoxybicyclo[2.2.2]octan-2-ol has a molecular weight of 186.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxybicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 130145453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).