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2,4-Diethyl-1,5-octanediol

CAT: 0572-TRC-D942770-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D942770-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
94277-83-5
Hazard Statement
No Data Available
Smiles
CCCC(O)C(CC)CC(CC)CO
Molecular Formula
C12 H26 O2
Molecular Weight
202.334
InChI
InChI=1S/C12H26O2/c1-4-7-12(14)11(6-3)8-10(5-2)9-13/h10-14H,4-9H2,1-3H3
Additionnal Information
IUPAC name: 2,4-diethyloctane-1,5-diol
Shipping Conditions
Room Temperature

Chemical Information

2,4-Diethyloctane-1,5-diol
CAS Number94277-83-5
PubChem CID3024226
IUPAC Name2,4-diethyloctane-1,5-diol
Molecular FormulaC12H26O2
Molecular Weight202.33
XLogP2.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity125
SMILES
CCCC(C(CC)CC(CC)CO)O
InChI
InChI=1S/C12H26O2/c1-4-7-12(14)11(6-3)8-10(5-2)9-13/h10-14H,4-9H2,1-3H3
InChIKey
QDKYZXPQXKTGRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Diethyloctane-1,5-diol
CAS: 94277-83-5
CID: 3024226
Formula: C12H26O2
MW: 202.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.33
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass202.193280068
Monoisotopic Mass202.193280068
Topological Polar Surface Area40.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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