Cas no 39529-98-1 (Dodecanediol)
Dodecanediol structure
Product Name:Dodecanediol
CAS No:39529-98-1
MF:C12H26O2
MW:202.333644390106
CID:322237
PubChem ID:181638
Update Time:2025-04-19
Dodecanediol Chemical and Physical Properties
Names and Identifiers
-
- Dodecanediol
- dodecane-1,1-diol
- SCHEMBL22239
- DTXSID00192656
- GTZOYNFRVVHLDZ-UHFFFAOYSA-N
- 39529-98-1
- AKOS028108615
-
- Inchi： 1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h12-14H,2-11H2,1H3
- InChI Key： GTZOYNFRVVHLDZ-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCC)O
Computed Properties
- Exact Mass: 202.19338
- Monoisotopic Mass: 202.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Dodecanediol Related Literature
-
Lili Cheng,Jianfei Luo,Pan Li,Hang Yu,Jianfei Huang,Lixin Luo Food Funct. 2014 5 2338
-
Babak Kakavandi,Ali Akbar Babaei RSC Adv. 2016 6 84999
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