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Cyclohexanepropanol, beta-methyl-

CAT: 0926-BDA01990-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-BDA01990-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76019-90-4
MDL Number
MFCD20385961
Smiles
CC (CC1CCCCC1) CO
Molecular Formula
C10H20O
Molecular Weight
156.27 g/mol
Controlled
No

Chemical Information

3-Cyclohexyl-2-methylpropan-1-ol
CAS Number76019-90-4
PubChem CID10797012
IUPAC Name3-cyclohexyl-2-methylpropan-1-ol
Molecular FormulaC10H20O
Molecular Weight156.26
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity95
SMILES
CC(CC1CCCCC1)CO
InChI
InChI=1S/C10H20O/c1-9(8-11)7-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKey
FROCGBFQIWUEGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyclohexyl-2-methylpropan-1-ol
CAS: 76019-90-4
CID: 10797012
Formula: C10H20O
MW: 156.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.26
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass156.151415257
Monoisotopic Mass156.151415257
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity95
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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