1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol

C22H36O — CID 15732228

IUPAC1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(C12CCC(CC1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H36O/c1-19(2,3)22(23,20-6-4-15(11-20)5-7-20)21-12-16-8-17(13-21)10-18(9-16)14-21/h15-18,23H,4-14H2,1-3H3
InChIKeyDMOGLGZWAHRTBR-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.56
Rot. Bonds2

About 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol

1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol (PubChem CID 15732228) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol
PubChem CID15732228
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(C12CCC(CC1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H36O/c1-19(2,3)22(23,20-6-4-15(11-20)5-7-20)21-12-16-8-17(13-21)10-18(9-16)14-21/h15-18,23H,4-14H2,1-3H3
InChIKeyDMOGLGZWAHRTBR-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol
CID 14866453
2-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-amine
CID 3010150
3-(1-adamantyl)butane-1,3-diol
CID 2802841
1-(2-methylpentan-2-yl)bicyclo[2.2.1]heptane
CID 123762100
3-(1-adamantyl)pentan-3-ol
CID 3916017
acetic acid;1-tert-butyladamantane
CID 66772325
methyl 2-(1-adamantyl)propane-2-sulfonate
CID 175329048
2-(1-adamantyl)-3-ethylpentan-2-ol
CID 18323328
2-(1-adamantyl)-N-methylpropan-2-amine
CID 3010141
(1R)-1-(1-adamantyl)-1-phenylethanol
CID 7116226
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
2-(1-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate
CID 129085447

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol (CID 15732228) is 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)(C12CCC(CC1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol?
The InChIKey is DMOGLGZWAHRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O/c1-19(2,3)22(23,20-6-4-15(11-20)5-7-20)21-12-16-8-17(13-21)10-18(9-16)14-21/h15-18,23H,4-14H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol?
1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol has a molecular weight of 316.53 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 15732228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).