[5-(hydroxymethyl)-2-adamantyl]methanol

C12H20O2 — CID 123735140

IUPAC[5-(hydroxymethyl)-2-adamantyl]methanol
SMILESOCC1C2CC3CC1CC(CO)(C3)C2
InChIInChI=1S/C12H20O2/c13-6-11-9-1-8-2-10(11)5-12(3-8,4-9)7-14/h8-11,13-14H,1-7H2
InChIKeyVTSZNRCUKXRFAN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.41
Rot. Bonds2

About [5-(hydroxymethyl)-2-adamantyl]methanol

[5-(hydroxymethyl)-2-adamantyl]methanol (PubChem CID 123735140) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-adamantyl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-adamantyl]methanol
PubChem CID123735140
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[5-(hydroxymethyl)-2-adamantyl]methanol
SMILESOCC1C2CC3CC1CC(CO)(C3)C2
InChIInChI=1S/C12H20O2/c13-6-11-9-1-8-2-10(11)5-12(3-8,4-9)7-14/h8-11,13-14H,1-7H2
InChIKeyVTSZNRCUKXRFAN-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantylmethanol;hydrochloride
CID 141053946
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
[(8R)-6-tetracyclo[4.3.1.11,4.02,8]undecanyl]methanol
CID 163953655
2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
CID 853564
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol
CID 123204743
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
5-(2-aminopropyl)adamantan-2-ol
CID 516159
1-O-(2,2-difluoropropyl) 4-O-[5-(hydroxymethyl)-2-adamantyl] butanedioate
CID 71142900
[5-(cyanomethyl)-2-adamantyl]carbamic acid
CID 67980241
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
2-[(4-hydroxy-1-adamantyl)methyl]prop-2-enoic acid
CID 69415134

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-adamantyl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2-adamantyl]methanol (CID 123735140) is [5-(hydroxymethyl)-2-adamantyl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2-adamantyl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2-adamantyl]methanol is OCC1C2CC3CC1CC(CO)(C3)C2.
What is the InChIKey of [5-(hydroxymethyl)-2-adamantyl]methanol?
The InChIKey is VTSZNRCUKXRFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-6-11-9-1-8-2-10(11)5-12(3-8,4-9)7-14/h8-11,13-14H,1-7H2.
What are the key properties of [5-(hydroxymethyl)-2-adamantyl]methanol?
[5-(hydroxymethyl)-2-adamantyl]methanol has a molecular weight of 196.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2-adamantyl]methanol is sourced from PubChem (CID 123735140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).