Products for Research Use Only

2-Methoxy-4-propylcyclohexan-1-ones

CAT: 0926-JCD72095-02Size: 0.5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-JCD72095-02Size:0.5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1934720-95-2
MDL Number
MFCD31915397
Smiles
CCCC1CCC (=O) C (C1) OC
Molecular Formula
C10H18O2
Molecular Weight
170.2 g/mol
Controlled
No

Chemical Information

2-Methoxy-4-propylcyclohexan-1-one
CAS Number1934720-95-2
PubChem CID130679898
IUPAC Name2-methoxy-4-propylcyclohexan-1-one
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CCCC1CCC(=O)C(C1)OC
InChI
InChI=1S/C10H18O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h8,10H,3-7H2,1-2H3
InChIKey
SLRDAVXRCCQBHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-4-propylcyclohexan-1-one
CAS: 1934720-95-2
CID: 130679898
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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