(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol

C11H18O2 — CID 124583912

IUPAC(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
SMILESOCC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2O
InChIInChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2/t7-,8-,9?,10-,11?/m0/s1
InChIKeyPUFOBDWCLXCAPH-LUZJOVDZSA-N
MW182.26 g/mol
LogP1.17
Rot. Bonds1

About (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol

(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol (PubChem CID 124583912) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol.

Molecular Properties

Compound Name(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
PubChem CID124583912
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
SMILESOCC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2O
InChIInChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2/t7-,8-,9?,10-,11?/m0/s1
InChIKeyPUFOBDWCLXCAPH-LUZJOVDZSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
1-(3-hydroxypropyl)adamantan-2-ol
CID 73302392
(2R,5S,7S)-1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol
CID 129452842
(2S,5R,7R)-1-(3-hydroxy-3,3-diphenylpropyl)adamantan-2-ol
CID 98502730
1-aminoadamantan-2-ol
CID 12563267
1-methyladamantan-2-ol
CID 12697517
1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol
CID 85373343
(2-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate
CID 59602419
2-hydroxyadamantane-1-carbonitrile
CID 121217220
1-adamantylmethanol;hydrochloride
CID 141053946
1-(2-hydroxy-1-adamantyl)ethanone
CID 591962
1-ethyladamantane-2,4-diol
CID 175122175

Frequently Asked Questions

What is the IUPAC name of (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol?
The IUPAC name of (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol (CID 124583912) is (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol.
What is the SMILES notation for (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol?
The canonical SMILES for (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol is OCC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2O.
What is the InChIKey of (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol?
The InChIKey is PUFOBDWCLXCAPH-LUZJOVDZSA-N. The full InChI is InChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2/t7-,8-,9?,10-,11?/m0/s1.
What are the key properties of (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol?
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol is sourced from PubChem (CID 124583912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).