Dodecanediol

HCID 181638

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 39529-98-1
Standard SMILES: CCCCCCCCCCCC(O)O
InChIKey: GTZOYNFRVVHLDZ-UHFFFAOYSA-N
Molecular formula: C12H26O2
Average molar mass: 202.33 g/mol
Monoisotopic mass: 202.19328007

Names & identifiers

Preferred name: Dodecanediol
IUPAC: dodecane-1,1-diol

Names & synonyms

Dodecanediol39529-98-1DTXSID00192656RefChem:339458DTXCID40115147Dodecane-1,1-diolSCHEMBL22239SCHEMBL526693SCHEMBL2524053SCHEMBL3632590SCHEMBL6651887AKOS028108615

Database identifiers

CAS: 39529-98-1
PubChem CID: 181638
DTXSID: DTXSID00192656
Nikkaji: J2.443.777I

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 102

Related reactions

3 records

New reaction record

HRID 617853As reactantuspto-grants-1999_09

HRID 862830As reactantuspto-grants-1998_02

HRID 1451593As reactantuspto-grants-1997_02

Compound notes

Loading…