Products for Research Use Only
RegisterLogin

3,4-Dimethyl-3-hexanol

CAT: 0127-OR916623-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR916623-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
19550-08-4
MDL Number
MFCD00021820
Purity
95%
Smiles
CCC(C)C(C)(O)CC

Chemical Information

3,4-Dimethyl-3-hexanol
CAS Number19550-08-4
PubChem CID140548
IUPAC Name3,4-dimethylhexan-3-ol
Molecular FormulaC8H18O
Molecular Weight130.23
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CCC(C)C(C)(CC)O
InChI
InChI=1S/C8H18O/c1-5-7(3)8(4,9)6-2/h7,9H,5-6H2,1-4H3
InChIKey
FJXOYCIYKQJAAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethyl-3-hexanol
CAS: 19550-08-4
CID: 140548
Formula: C8H18O
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
OR9199243,5-Dimethyl-3-hexanol
OR1079003-012,5-Dimethyl-3-hexanol
OR9312302,2-Dimethyl-3-hexanol
OR100193-Hexanol
OR1010711-013- (Methylthio) Hexanol
OR1010986-013-Ethyl-3-Hexanol
OR937638-013-Methyl-1-hexanol
OR1023671-012-Methyl-3-Hexanol
OR10213873,3'-Dimethyl-4,4'-diaminobiphenyl
OR72050-014,4-Dimethyl-3-thiosemicarbazide

Alternative Products

CatalogName
sc-4856683,4-Dimethyl-3-hexanol
D41010-012 4-Dimethyl-3-hexanol
sc-2765413,5-Dimethyl-3-hexanol
D40995-012,3-Dimethyl-3-hexanol
D41040-013,4-Dimethyl-2-hexanol 93%
sc-2669023,4-Dimethyl-2-hexanol, erythro + threo
D40980-012 2-Dimethyl-3-Hexanol
sc-4856672,3-Dimethyl-2-hexanol
sc-2752052,2-Dimethyl-3-hexanol
sc-2661642,5-Dimethyl-3-hexanol

Popular Products