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Compound Fr16613

CAT: 0931-Fr16613-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16613-03Size:10 mg
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CAS Number
932-01-4
Bioactivity
Compound Fr16613, with CAS No. 932-01-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16613 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1(C)CCC(O)CC1
Molecular Formula
C8H16O
Molecular Weight
128.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclohexanol, 4,4-dimethyl-
CAS Number932-01-4
PubChem CID136735
IUPAC Name4,4-dimethylcyclohexan-1-ol
Molecular FormulaC8H16O
Molecular Weight128.21
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity86
SMILES
CC1(CCC(CC1)O)C
InChI
InChI=1S/C8H16O/c1-8(2)5-3-7(9)4-6-8/h7,9H,3-6H2,1-2H3
InChIKey
VUQOIZPFYIVUKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanol, 4,4-dimethyl-
CAS: 932-01-4
CID: 136735
Formula: C8H16O
MW: 128.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.21
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass128.120115130
Monoisotopic Mass128.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity86.7
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

Related Products

CatalogName
Fr12613-01Compound Fr12613
Fr16673-01Compound Fr16673
Fr16713-01Compound Fr16713
Fr16643-01Compound Fr16643
Fr16653-01Compound Fr16653
Fr16603-01Compound Fr16603
Fr16614-01Compound Fr16614
Fr16611-01Compound Fr16611
Fr16615-01Compound Fr16615
Fr16631-01Compound Fr16631

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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