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2-Ethoxycyclohexan-1-ol

CAT: 0926-CAA97926Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-CAA97926Size:5000 mg
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CAS Number
2979-26-2
MDL Number
MFCD01734954
Smiles
CCOC1CCCCC1O
Molecular Formula
C8H16O2
Molecular Weight
144.21 g/mol
Controlled
No

Chemical Information

Cyclohexanol, 2-ethoxy-
CAS Number2979-26-2
PubChem CID98428
IUPAC Name2-ethoxycyclohexan-1-ol
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP1.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CCOC1CCCCC1O
InChI
InChI=1S/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3
InChIKey
PKOQGLKMAXRWPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanol, 2-ethoxy-
CAS: 2979-26-2
CID: 98428
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.3
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

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