dodecane

C12H26 — CID 8182

IUPACdodecane
SMILESCCCCCCCCCCCC
InChIInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeySNRUBQQJIBEYMU-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.93
Rot. Bonds9

About dodecane

dodecane (PubChem CID 8182) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is dodecane.

Molecular Properties

Compound Namedodecane
PubChem CID8182
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namedodecane
SMILESCCCCCCCCCCCC
InChIInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeySNRUBQQJIBEYMU-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Heptane
CID 8900
Decane
CID 15600
Octane
CID 356
Nonane
CID 8141
Pentadecane
CID 12391
Hexadecane
CID 11006
Undecane
CID 14257
Tridecane
CID 12388
Tetradecane
CID 12389
Nonadecane
CID 12401
Heptadecane
CID 12398
Octacosane
CID 12408

Frequently Asked Questions

What is the IUPAC name of dodecane?
The IUPAC name of dodecane (CID 8182) is dodecane.
What is the SMILES notation for dodecane?
The canonical SMILES for dodecane is CCCCCCCCCCCC.
What is the InChIKey of dodecane?
The InChIKey is SNRUBQQJIBEYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of dodecane?
dodecane has a molecular weight of 170.34 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane is sourced from PubChem (CID 8182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).