5-Hydroxy-2-methyl-2-adamantanol

CAT: 0926-FH66634-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FH66634-01Size:250 mg

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CAS Number

165963-57-5

MDL Number

MFCD08061914

Smiles

CC1 (C2CC3CC1CC (C3) (C2) O) O

Molecular Formula

C11H18O2

Molecular Weight

182.26 g/mol

Controlled

Chemical Information

4-Methyladamantane-1,4-diol

CAS Number	165963-57-5
PubChem CID	20111909
IUPAC Name	4-methyladamantane-1,4-diol
Molecular Formula	C11H18O2
Molecular Weight	182.26
XLogP	0.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	232

SMILES

CC1(C2CC3CC1CC(C3)(C2)O)O

InChI

InChI=1S/C11H18O2/c1-10(12)8-2-7-3-9(10)6-11(13,4-7)5-8/h7-9,12-13H,2-6H2,1H3

InChIKey

ALZUAKQPIUGQKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 165963-57-5

CID: 20111909

Formula: C11H18O2

MW: 182.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.26
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	182.130679813
Monoisotopic Mass	182.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	232
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM05815-01	2-Methyl-2-adamantanol
FA06200-01	2-Adamantanol
NJC68939-01	Methyl 2-hydroxy-5,5-dimethylhexanoate
FH24202	5-Hydroxy-2-methyl isoborneol
HHA91892-01	Methyl 2-hydroxy-5-phenylpentanoate
FM67198-01	Methyl 5-hydroxy-2-nitrobenzoate
FM170860	Methyl 5-hydroxy-2-methylbenzoate
GFA99130-01	Methyl 2-hydroxy-5-sulfamoylbenzoate
FM71188-01	Methyl 2-hydroxy-5-methoxybenzoate
FE03871-01	2-Ethyl-2-adamantanol

Catalog	Name
702-98-7	2-Methyl-2-adamantanol
TWO2771-01	2-Adamantanol
sc-487145	2-Ethyl-2-adamantanol
sc-484687	2-Butyl-2-adamantanol
OR1098008	2-Phenyl-2-adamantanol
H14685	2'-Hydroxy-5'-methyl-2-phenylacetophenone
455725-01	Methyl 5-hydroxy-2-methylbenzoate
454967-01	Methyl 2-hydroxy-5-nitronicotinate
OR52915-01	Methyl 5-hydroxy-2-nitrobenzoate
TRC-B585318-2.5G	Methyl 2-Hydroxy-5-methylbenzoate