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5-Ethyl-1-octanol

CAT: 0572-TRC-E956275-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E956275-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38514-08-8
Hazard Statement
No Data Available
Smiles
CCCC(CC)CCCCO
Molecular Formula
C10 H22 O
Molecular Weight
158.281
InChI
InChI=1S/C10H22O/c1-3-7-10(4-2)8-5-6-9-11/h10-11H,3-9H2,1-2H3
Additionnal Information
IUPAC name: 5-ethyloctan-1-ol
Shipping Conditions
Room Temperature

Chemical Information

5-Ethyl-1-octanol
CAS Number38514-08-8
PubChem CID22492547
IUPAC Name5-ethyloctan-1-ol
Molecular FormulaC10H22O
Molecular Weight158.28
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity71
SMILES
CCCC(CC)CCCCO
InChI
InChI=1S/C10H22O/c1-3-7-10(4-2)8-5-6-9-11/h10-11H,3-9H2,1-2H3
InChIKey
UQUKKYHIRMBILT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethyl-1-octanol
CAS: 38514-08-8
CID: 22492547
Formula: C10H22O
MW: 158.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.28
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass158.167065321
Monoisotopic Mass158.167065321
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity71.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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