(R) - (-) -2-Methyl-2,4-pentanediol

CAT: 0127-OR315010Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR315010Size:1 Each

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CAS Number

99210-90-9

MDL Number

MFCD00064275

Purity

=95%

Smiles

C[C@@H](O)CC(C)(C)O

Chemical Information

2-Methyl-(R)-2,4-pentanediol

(4r)-2-Methylpentane-2,4-Diol has been reported in Ligularia veitchiana, Santolina rosmarinifolia, and Dioclea guianensis with data available.

CAS Number	99210-90-9
PubChem CID	5288845
IUPAC Name	(4R)-2-methylpentane-2,4-diol
Molecular Formula	C6H14O2
Molecular Weight	118.17
XLogP	0.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

C[C@H](CC(C)(C)O)O

InChI

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1

InChIKey

SVTBMSDMJJWYQN-RXMQYKEDSA-N

Chemical Structure

2D Structure

CAS: 99210-90-9

CID: 5288845

Formula: C6H14O2

MW: 118.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.17
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	118.099379685
Monoisotopic Mass	118.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes