3-(3-hydroxy-1-adamantyl)adamantan-1-ol

C20H30O2 — CID 14984938

IUPAC3-(3-hydroxy-1-adamantyl)adamantan-1-ol
SMILESOC12CC3CC(C1)CC(C14CC5CC(CC(O)(C5)C1)C4)(C3)C2
InChIInChI=1S/C20H30O2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16,21-22H,1-12H2
InChIKeyCBQQWGKYENSOHG-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.65
Rot. Bonds1

About 3-(3-hydroxy-1-adamantyl)adamantan-1-ol

3-(3-hydroxy-1-adamantyl)adamantan-1-ol (PubChem CID 14984938) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-(3-hydroxy-1-adamantyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxy-1-adamantyl)adamantan-1-ol
PubChem CID14984938
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name3-(3-hydroxy-1-adamantyl)adamantan-1-ol
SMILESOC12CC3CC(C1)CC(C14CC5CC(CC(O)(C5)C1)C4)(C3)C2
InChIInChI=1S/C20H30O2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16,21-22H,1-12H2
InChIKeyCBQQWGKYENSOHG-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-adamantyl)adamantane-1,3-diol
CID 68810995
(5R,7R)-3-chloroadamantan-1-ol
CID 6932408
3-tert-butyladamantan-1-ol
CID 59863856
adamantan-1-ol;azane
CID 66728775
(5S,7S)-3-(dimethylamino)adamantan-1-ol
CID 23314706
(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
CID 56845538
(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride
CID 134128984
(5S,7R)-3-propyladamantan-1-ol
CID 1225075
adamantane-1,3-diol;2-methylprop-2-enoic acid
CID 53445274
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431
(5S,7R)-3-isocyanatoadamantan-1-ol
CID 130758661

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-1-adamantyl)adamantan-1-ol?
The IUPAC name of 3-(3-hydroxy-1-adamantyl)adamantan-1-ol (CID 14984938) is 3-(3-hydroxy-1-adamantyl)adamantan-1-ol.
What is the SMILES notation for 3-(3-hydroxy-1-adamantyl)adamantan-1-ol?
The canonical SMILES for 3-(3-hydroxy-1-adamantyl)adamantan-1-ol is OC12CC3CC(C1)CC(C14CC5CC(CC(O)(C5)C1)C4)(C3)C2.
What is the InChIKey of 3-(3-hydroxy-1-adamantyl)adamantan-1-ol?
The InChIKey is CBQQWGKYENSOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16,21-22H,1-12H2.
What are the key properties of 3-(3-hydroxy-1-adamantyl)adamantan-1-ol?
3-(3-hydroxy-1-adamantyl)adamantan-1-ol has a molecular weight of 302.46 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-1-adamantyl)adamantan-1-ol is sourced from PubChem (CID 14984938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).