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1,1-Diethoxycyclopentane

CAT: 0572-TRC-D441975-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D441975-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23786-93-8
Synonyms
Cyclopentanone, Diethyl Acetal; 1,1-Diethoxycyclopentane; Cyclopentanone Diethyl Ketal
Hazard Statement
No Data Available
Smiles
CCOC1(CCCC1)OCC
Molecular Formula
C9H18O2
Molecular Weight
158.24
Shipping Conditions
Room Temperature

Chemical Information

1,1-Diethoxycyclopentane

See also: silicic acid (h2sio3), sodium zinc salt (annotation moved to).

CAS Number23786-93-8
PubChem CID90268
IUPAC Name1,1-diethoxycyclopentane
Molecular FormulaC9H18O2
Molecular Weight158.24
XLogP1.8
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity98
SMILES
CCOC1(CCCC1)OCC
InChI
InChI=1S/C9H18O2/c1-3-10-9(11-4-2)7-5-6-8-9/h3-8H2,1-2H3
InChIKey
QJKUIUCQENFWSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Diethoxycyclopentane
CAS: 23786-93-8
CID: 90268
Formula: C9H18O2
MW: 158.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass158.130679813
Monoisotopic Mass158.130679813
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity98.1
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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