undecane

C11H24 — CID 14257

IUPACundecane
SMILESCCCCCCCCCCC
InChIInChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyRSJKGSCJYJTIGS-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.54
Rot. Bonds8

About undecane

undecane (PubChem CID 14257) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is undecane.

Molecular Properties

Compound Nameundecane
PubChem CID14257
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Nameundecane
SMILESCCCCCCCCCCC
InChIInChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyRSJKGSCJYJTIGS-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.54
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
Tridecane
CID 12388
Dodecane
CID 8182
Tetradecane
CID 12389
Nonadecane
CID 12401
Heptadecane
CID 12398
Octacosane
CID 12408

Frequently Asked Questions

What is the IUPAC name of undecane?
The IUPAC name of undecane (CID 14257) is undecane.
What is the SMILES notation for undecane?
The canonical SMILES for undecane is CCCCCCCCCCC.
What is the InChIKey of undecane?
The InChIKey is RSJKGSCJYJTIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of undecane?
undecane has a molecular weight of 156.31 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecane is sourced from PubChem (CID 14257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).