Tridecane-1,13-diol

CAT: 0127-OR74818-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR74818-01Size:1 g

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CAS Number

13362-52-2

MDL Number

MFCD00482067

Purity

97%

Smiles

C(CCCCCCO)CCCCCCO

Chemical Information

1,13-Tridecanediol

CAS Number	13362-52-2
PubChem CID	11063855
IUPAC Name	tridecane-1,13-diol
Molecular Formula	C13H28O2
Molecular Weight	216.36
XLogP	4.1
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	15
Formal Charge	0
Complexity	92

SMILES

C(CCCCCCO)CCCCCCO

InChI

InChI=1S/C13H28O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14-15H,1-13H2

InChIKey

HCEPYODGJFPWOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13362-52-2

CID: 11063855

Formula: C13H28O2

MW: 216.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.36
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	216.208930132
Monoisotopic Mass	216.208930132
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	92.7
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