2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C20H32O — CID 141298497

IUPAC2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C20H32O/c1-17(2)16-4-5-18(17,3)20(21,12-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16,21H,4-12H2,1-3H3
InChIKeyDSGVGBBENDAIFO-UHFFFAOYSA-N
MW288.47 g/mol
LogP4.78
Rot. Bonds1

About 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 141298497) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID141298497
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C20H32O/c1-17(2)16-4-5-18(17,3)20(21,12-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16,21H,4-12H2,1-3H3
InChIKeyDSGVGBBENDAIFO-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
CID 141126262
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967
(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 10721413
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
CID 15484337
1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
CID 20530285
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
CID 141237439
(2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl) 2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 141422375
2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 74022055
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
1-(1-adamantyl)-2,2-dimethyladamantane
CID 151845126

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 141298497) is 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)(C13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is DSGVGBBENDAIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-17(2)16-4-5-18(17,3)20(21,12-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16,21H,4-12H2,1-3H3.
What are the key properties of 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 288.47 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 141298497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).