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2,2-dibutylpropane-1,3-diol

CAT: 0931-T64364-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T64364-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24765-57-9
Target
Others
Related Pathways
Others
Purity
0.98
Bioactivity
2,2-dibutylpropane-1,3-diol (2,2-Di-N-Butyl-1,3-Propanediol) is a bioactive substance.
Smiles
CCCCC(CO)(CO)CCCC
Molecular Formula
C11H24O2
Molecular Weight
188.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,2-Dibutylpropane-1,3-diol
CAS Number24765-57-9
PubChem CID4080430
IUPAC Name2,2-dibutylpropane-1,3-diol
Molecular FormulaC11H24O2
Molecular Weight188.31
XLogP2.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity98
SMILES
CCCCC(CCCC)(CO)CO
InChI
InChI=1S/C11H24O2/c1-3-5-7-11(9-12,10-13)8-6-4-2/h12-13H,3-10H2,1-2H3
InChIKey
OJMJOSRCBAXSAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dibutylpropane-1,3-diol
CAS: 24765-57-9
CID: 4080430
Formula: C11H24O2
MW: 188.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.31
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass188.177630004
Monoisotopic Mass188.177630004
Topological Polar Surface Area40.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity98.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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