(R)-1-adamantyl(methoxy)methanol

C12H20O2 — CID 124639055

IUPAC(R)-1-adamantyl(methoxy)methanol
SMILESCO[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-11,13H,2-7H2,1H3/t8?,9?,10?,11-,12?/m1/s1
InChIKeyPAVHVXGLAHACSJ-LTMLNTECSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds2

About (R)-1-adamantyl(methoxy)methanol

(R)-1-adamantyl(methoxy)methanol (PubChem CID 124639055) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (R)-1-adamantyl(methoxy)methanol.

Molecular Properties

Compound Name(R)-1-adamantyl(methoxy)methanol
PubChem CID124639055
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(R)-1-adamantyl(methoxy)methanol
SMILESCO[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-11,13H,2-7H2,1H3/t8?,9?,10?,11-,12?/m1/s1
InChIKeyPAVHVXGLAHACSJ-LTMLNTECSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-adamantyl)-2-hydroxyacetate
CID 24795488
1-(1-adamantyl)pentan-1-ol
CID 584500
(R)-1-adamantyl-(4-methoxyphenyl)methanol
CID 7064962
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium
CID 7482124
(1S)-1-(1-adamantyl)-N-methoxyethanamine
CID 164724198
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
1-(1-adamantyl)octan-1-ol
CID 63411073
1-adamantyl-(2-methoxyphenyl)methanol
CID 63410949
[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium
CID 7154824
(1R)-1-(1-adamantyl)-2-bromoethanol
CID 10106600
2-(1-adamantyl)propan-1-ol
CID 23623999

Frequently Asked Questions

What is the IUPAC name of (R)-1-adamantyl(methoxy)methanol?
The IUPAC name of (R)-1-adamantyl(methoxy)methanol (CID 124639055) is (R)-1-adamantyl(methoxy)methanol.
What is the SMILES notation for (R)-1-adamantyl(methoxy)methanol?
The canonical SMILES for (R)-1-adamantyl(methoxy)methanol is CO[C@@H](O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (R)-1-adamantyl(methoxy)methanol?
The InChIKey is PAVHVXGLAHACSJ-LTMLNTECSA-N. The full InChI is InChI=1S/C12H20O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-11,13H,2-7H2,1H3/t8?,9?,10?,11-,12?/m1/s1.
What are the key properties of (R)-1-adamantyl(methoxy)methanol?
(R)-1-adamantyl(methoxy)methanol has a molecular weight of 196.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1-adamantyl(methoxy)methanol is sourced from PubChem (CID 124639055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).