3,3-Dimethylbicyclo[2.2.2]octan-2-ol

C10H18O — CID 73822230

IUPAC3,3-dimethylbicyclo[2.2.2]octan-2-ol
SMILESCC1(C2CCC(C1O)CC2)C
InChIInChI=1S/C10H18O/c1-10(2)8-5-3-7(4-6-8)9(10)11/h7-9,11H,3-6H2,1-2H3
InChIKeyCUFYUIRJALRNKZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.70
Rot. Bonds

About 3,3-Dimethylbicyclo[2.2.2]octan-2-ol

3,3-Dimethylbicyclo[2.2.2]octan-2-ol (PubChem CID 73822230) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3,3-dimethylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name3,3-Dimethylbicyclo[2.2.2]octan-2-ol
PubChem CID73822230
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3,3-dimethylbicyclo[2.2.2]octan-2-ol
SMILESCC1(C2CCC(C1O)CC2)C
InChIInChI=1S/C10H18O/c1-10(2)8-5-3-7(4-6-8)9(10)11/h7-9,11H,3-6H2,1-2H3
InChIKeyCUFYUIRJALRNKZ-UHFFFAOYSA-N
XLogP2.70
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity154

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Tetrahydroionol
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(-)-Pinocampheol
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Auberganol
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2-Naphthalenol, decahydro-6-(1-methylethyl)-
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(+)-Isopinocampheol
CID 90350
1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1alpha,4beta,4aalpha,6beta,8aalpha)-
CID 521903
alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
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CID 119242

Frequently Asked Questions

What is the IUPAC name of 3,3-Dimethylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of 3,3-Dimethylbicyclo[2.2.2]octan-2-ol (CID 73822230) is 3,3-dimethylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 3,3-Dimethylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 3,3-Dimethylbicyclo[2.2.2]octan-2-ol is CC1(C2CCC(C1O)CC2)C.
What is the InChIKey of 3,3-Dimethylbicyclo[2.2.2]octan-2-ol?
The InChIKey is CUFYUIRJALRNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-5-3-7(4-6-8)9(10)11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3,3-Dimethylbicyclo[2.2.2]octan-2-ol?
3,3-Dimethylbicyclo[2.2.2]octan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-Dimethylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 73822230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).