(5S,7R)-3-pentan-3-yladamantan-1-ol

C15H26O — CID 10775431

IUPAC(5S,7R)-3-pentan-3-yladamantan-1-ol
SMILESCCC(CC)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C15H26O/c1-3-13(4-2)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-13,16H,3-10H2,1-2H3/t11-,12+,14?,15?
InChIKeyXWPDDJSUZLTGIV-AVJIGQEQSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds3

About (5S,7R)-3-pentan-3-yladamantan-1-ol

(5S,7R)-3-pentan-3-yladamantan-1-ol (PubChem CID 10775431) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (5S,7R)-3-pentan-3-yladamantan-1-ol.

Molecular Properties

Compound Name(5S,7R)-3-pentan-3-yladamantan-1-ol
PubChem CID10775431
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(5S,7R)-3-pentan-3-yladamantan-1-ol
SMILESCCC(CC)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C15H26O/c1-3-13(4-2)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-13,16H,3-10H2,1-2H3/t11-,12+,14?,15?
InChIKeyXWPDDJSUZLTGIV-AVJIGQEQSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol
CID 57369169
3-(1-phenylethyl)adamantan-1-ol
CID 178183380
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
(5S,7R)-3-propyladamantan-1-ol
CID 1225075
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
CID 23596418
3-butyladamantan-1-ol
CID 71257981
(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol
CID 129418828
(3-hydroxy-1-adamantyl) 2-ethyl-3-methylbutanoate
CID 129308989
(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 70339285
3-tert-butyladamantan-1-ol
CID 59863856

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-pentan-3-yladamantan-1-ol?
The IUPAC name of (5S,7R)-3-pentan-3-yladamantan-1-ol (CID 10775431) is (5S,7R)-3-pentan-3-yladamantan-1-ol.
What is the SMILES notation for (5S,7R)-3-pentan-3-yladamantan-1-ol?
The canonical SMILES for (5S,7R)-3-pentan-3-yladamantan-1-ol is CCC(CC)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-pentan-3-yladamantan-1-ol?
The InChIKey is XWPDDJSUZLTGIV-AVJIGQEQSA-N. The full InChI is InChI=1S/C15H26O/c1-3-13(4-2)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-13,16H,3-10H2,1-2H3/t11-,12+,14?,15?.
What are the key properties of (5S,7R)-3-pentan-3-yladamantan-1-ol?
(5S,7R)-3-pentan-3-yladamantan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-pentan-3-yladamantan-1-ol is sourced from PubChem (CID 10775431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).