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1,4-Dimethyl-1,4-cyclohexanediol

CAT: 0572-TRC-D398710-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D398710-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90414-69-0
Hazard Statement
No Data Available
Smiles
CC1(O)CCC(C)(O)CC1
Molecular Formula
C8 H16 O2
Molecular Weight
144.211
InChI
InChI=1S/C8H16O2/c1-7(9)3-5-8(2,10)6-4-7/h9-10H,3-6H2,1-2H3
Additionnal Information
IUPAC name: 1,4-dimethylcyclohexane-1,4-diol
Shipping Conditions
Room Temperature

Chemical Information

1,4-Cyclohexanediol, 1,4-dimethyl-,
CAS Number90414-69-0
PubChem CID300683
IUPAC Name1,4-dimethylcyclohexane-1,4-diol
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP0.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity107
SMILES
CC1(CCC(CC1)(C)O)O
InChI
InChI=1S/C8H16O2/c1-7(9)3-5-8(2,10)6-4-7/h9-10H,3-6H2,1-2H3
InChIKey
HYQVJTPIWPMTLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Cyclohexanediol, 1,4-dimethyl-,
CAS: 90414-69-0
CID: 300683
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity107
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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CatalogName
sc-2377491,4-Cyclohexanediol
OR932554-01Trans-1,4-Cyclohexanediol
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OR11000274,4''-Dimethyl-1,1':4',1''-terphenyl
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