2-Cyclohexylpropane-1,3-diol

CAT: 0127-OR81644-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR81644-01Size:100 mg

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CAS Number

2612-32-0

MDL Number

MFCD00458015

Purity

98%

Smiles

OCC(C1CCCCC1)CO

Chemical Information

2-Cyclohexyl-1,3-propanediol

CAS Number	2612-32-0
PubChem CID	15293
IUPAC Name	2-cyclohexylpropane-1,3-diol
Molecular Formula	C9H18O2
Molecular Weight	158.24
XLogP	1.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	93

SMILES

C1CCC(CC1)C(CO)CO

InChI

InChI=1S/C9H18O2/c10-6-9(7-11)8-4-2-1-3-5-8/h8-11H,1-7H2

InChIKey

CMNVSZHIHFLQFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2612-32-0

CID: 15293

Formula: C9H18O2

MW: 158.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.24
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	93.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1029357	N1-Cyclohexylpropane-1,3-Diamine
OR1046119-01	3-Propylbenzene-1,2-diol
OR1045542-01	3-Methylbutane-1,2-diol
OR5368-01	2-Aminopropane-1,3-diol
OR54371-01	2-Methylenepropane-1,3-diol
OR70152-01	3-Chlorobenzene-1,2-diol
OR87572-01	2-Isopropylpropane-1,3-diol
OR916592-01	2-Ethylpropane-1,3-diol
OR70151-01	3-Nitrobenzene-1,2-diol
OR9022	2-Propylbenzene-1,3-diol

Catalog	Name
CAA61232-01	2-Cyclohexylpropane-1,3-diol
JJB05329-01	2-Amino-1-cyclohexylpropane-1,3-diol hydrochloride
QMC96165-01	3-Cyclohexylpropane-1-sulfonamide
DAA31260-01	N1-Cyclohexylpropane-1,3-diamine
VHA05379-01	3-Cyclohexylpropane-1-sulfonyl chloride
BDA73118-01	2-Cyclobutylpropane-1,3-diol
DAA79674-01	2-Phenylbenzene-1,3-diol
TN9466-01	3-Ethylbenzene-1,2-diol
RG-A262031-01	2-Aminopropane-1,3-Diol
RG-C081281-01	2-Chloropropane-1,3-Diol