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2-Methoxy-4-propylcyclohexan-1-ol

CAT: 0926-YAA95098-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-YAA95098-01Size:25 mg
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CAS Number
23950-98-3
MDL Number
MFCD16102061
Smiles
CCCC1CCC (C (C1) OC) O
Molecular Formula
C10H20O2
Molecular Weight
172.26 g/mol
Controlled
No

Chemical Information

Cyclohexanol, 2-methoxy-4-propyl-
CAS Number23950-98-3
PubChem CID91098
IUPAC Name2-methoxy-4-propylcyclohexan-1-ol
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP2.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity125
SMILES
CCCC1CCC(C(C1)OC)O
InChI
InChI=1S/C10H20O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h8-11H,3-7H2,1-2H3
InChIKey
FLNSLKJOWVMPEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanol, 2-methoxy-4-propyl-
CAS: 23950-98-3
CID: 91098
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
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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