1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol

C21H36O — CID 14866453

IUPAC1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(C12CCC(CC1)CC2)C12CCC(CC1)CC2
InChIInChI=1S/C21H36O/c1-18(2,3)21(22,19-10-4-16(5-11-19)6-12-19)20-13-7-17(8-14-20)9-15-20/h16-17,22H,4-15H2,1-3H3
InChIKeyCWLFNKONLDABTF-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.70
Rot. Bonds2

About 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol

1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol (PubChem CID 14866453) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol
PubChem CID14866453
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(C12CCC(CC1)CC2)C12CCC(CC1)CC2
InChIInChI=1S/C21H36O/c1-18(2,3)21(22,19-10-4-16(5-11-19)6-12-19)20-13-7-17(8-14-20)9-15-20/h16-17,22H,4-15H2,1-3H3
InChIKeyCWLFNKONLDABTF-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol
CID 15732228
2-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-amine
CID 3010150
1-tert-butylbicyclo[2.2.2]octane;1-tert-butylbicyclo[1.1.1]pentane;tert-butylcyclobutane;tert-butylcyclohexane
CID 167538573
1-(2-methylpentan-2-yl)bicyclo[2.2.1]heptane
CID 123762100
1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
CID 13184607
(3S,4R)-3-amino-4-(1-bicyclo[2.2.2]octanylmethoxy)-2-methylpentan-2-ol
CID 171593930
2-(1-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate
CID 129085447
N-methylbicyclo[2.2.2]octan-1-amine
CID 57117319
(2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene
CID 101183918
1-tert-butyl-9-azabicyclo[3.3.1]nonane
CID 173037930
bicyclo[2.2.2]octan-1-amine
CID 550214
bicyclo[2.2.2]octan-1-olate
CID 101218368

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol (CID 14866453) is 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)(C12CCC(CC1)CC2)C12CCC(CC1)CC2.
What is the InChIKey of 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol?
The InChIKey is CWLFNKONLDABTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-18(2,3)21(22,19-10-4-16(5-11-19)6-12-19)20-13-7-17(8-14-20)9-15-20/h16-17,22H,4-15H2,1-3H3.
What are the key properties of 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol?
1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol has a molecular weight of 304.52 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 14866453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).