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1,1-Diisopropoxycyclohexane

CAT: 0926-FD106440Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FD106440Size:100 g
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CAS Number
1132-95-2
MDL Number
MFCD00236381
Smiles
CC (C) OC1 (CCCCC1) OC (C) C
Molecular Formula
C12H24O2
Molecular Weight
200.32 g/mol
Controlled
No

Chemical Information

1,1-Diisopropoxycyclohexane
CAS Number1132-95-2
PubChem CID11745673
IUPAC Name1,1-di(propan-2-yloxy)cyclohexane
Molecular FormulaC12H24O2
Molecular Weight200.32
XLogP3.3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity146
SMILES
CC(C)OC1(CCCCC1)OC(C)C
InChI
InChI=1S/C12H24O2/c1-10(2)13-12(14-11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3
InChIKey
PLNTYOACSMHWBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Diisopropoxycyclohexane
CAS: 1132-95-2
CID: 11745673
Formula: C12H24O2
MW: 200.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.32
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass200.177630004
Monoisotopic Mass200.177630004
Topological Polar Surface Area18.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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