undecane chloride

C11H24Cl- — CID 19736895

IUPACundecane chloride
SMILESCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C11H24.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h3-11H2,1-2H3;1H/p-1
InChIKeyOADNVNPVQYWJMK-UHFFFAOYSA-M
MW191.77 g/mol
LogP1.54
Rot. Bonds8

About undecane chloride

undecane chloride (PubChem CID 19736895) has the molecular formula C11H24Cl- and a molecular weight of 191.77 g/mol. Its IUPAC name is undecane chloride.

Molecular Properties

Compound Nameundecane chloride
PubChem CID19736895
Molecular FormulaC11H24Cl-
Molecular Weight191.77 g/mol
Exact Mass191.16
IUPAC Nameundecane chloride
SMILESCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C11H24.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h3-11H2,1-2H3;1H/p-1
InChIKeyOADNVNPVQYWJMK-UHFFFAOYSA-M
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.77
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze undecane chloride 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

magnesium;undecane;dichloride
CID 175829094
azanium;dodecane;chloride
CID 172693740
azanium;octacosane;chloride
CID 172810874
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of undecane chloride?
The IUPAC name of undecane chloride (CID 19736895) is undecane chloride.
What is the SMILES notation for undecane chloride?
The canonical SMILES for undecane chloride is CCCCCCCCCCC.[Cl-].
What is the InChIKey of undecane chloride?
The InChIKey is OADNVNPVQYWJMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h3-11H2,1-2H3;1H/p-1.
What are the key properties of undecane chloride?
undecane chloride has a molecular weight of 191.77 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecane chloride is sourced from PubChem (CID 19736895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).