undecane

C11H23- — CID 91018991

IUPACundecane
SMILESC[CH-]CCCCCCCCC
InChIInChI=1S/C11H23/c1-3-5-7-9-11-10-8-6-4-2/h3H,4-11H2,1-2H3/q-1
InChIKeySJWUVUYMGKALIJ-UHFFFAOYSA-N
MW155.31 g/mol
LogP4.35
Rot. Bonds8

About undecane

undecane (PubChem CID 91018991) has the molecular formula C11H23- and a molecular weight of 155.31 g/mol. Its IUPAC name is undecane.

Molecular Properties

Compound Nameundecane
PubChem CID91018991
Molecular FormulaC11H23-
Molecular Weight155.31 g/mol
Exact Mass155.18
IUPAC Nameundecane
SMILESC[CH-]CCCCCCCCC
InChIInChI=1S/C11H23/c1-3-5-7-9-11-10-8-6-4-2/h3H,4-11H2,1-2H3/q-1
InChIKeySJWUVUYMGKALIJ-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octane;titanium
CID 174186128
bromozinc(1+);dodecane
CID 146001615
magnesium;carbanide;nonane;hydrochloride
CID 88770024
lithium;nonane;propanedioic acid
CID 174967507
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of undecane?
The IUPAC name of undecane (CID 91018991) is undecane.
What is the SMILES notation for undecane?
The canonical SMILES for undecane is C[CH-]CCCCCCCCC.
What is the InChIKey of undecane?
The InChIKey is SJWUVUYMGKALIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23/c1-3-5-7-9-11-10-8-6-4-2/h3H,4-11H2,1-2H3/q-1.
What are the key properties of undecane?
undecane has a molecular weight of 155.31 g/mol, XLogP of 4.35, 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 91018991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).