dodecan-2-ol

C12H26O — CID 25045

IUPACdodecan-2-ol
SMILESCCCCCCCCCCC(C)O
InChIInChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
InChIKeyXSWSEQPWKOWORN-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.90
Rot. Bonds9

About dodecan-2-ol

dodecan-2-ol (PubChem CID 25045) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is dodecan-2-ol.

Molecular Properties

Compound Namedodecan-2-ol
PubChem CID25045
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Namedodecan-2-ol
SMILESCCCCCCCCCCC(C)O
InChIInChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
InChIKeyXSWSEQPWKOWORN-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dodecan-2-ol?
The IUPAC name of dodecan-2-ol (CID 25045) is dodecan-2-ol.
What is the SMILES notation for dodecan-2-ol?
The canonical SMILES for dodecan-2-ol is CCCCCCCCCCC(C)O.
What is the InChIKey of dodecan-2-ol?
The InChIKey is XSWSEQPWKOWORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3.
What are the key properties of dodecan-2-ol?
dodecan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-2-ol is sourced from PubChem (CID 25045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).