chloromethane;11-chloroundecanoic acid

C12H24Cl2O2 — CID 162366476

IUPACchloromethane;11-chloroundecanoic acid
SMILESCCl.O=C(O)CCCCCCCCCCCl
InChIInChI=1S/C11H21ClO2.CH3Cl/c12-10-8-6-4-2-1-3-5-7-9-11(13)14;1-2/h1-10H2,(H,13,14);1H3
InChIKeyDBLGWAQYLMRTMH-UHFFFAOYSA-N
MW271.23 g/mol
LogP4.68
Rot. Bonds10

About chloromethane;11-chloroundecanoic acid

chloromethane;11-chloroundecanoic acid (PubChem CID 162366476) has the molecular formula C12H24Cl2O2 and a molecular weight of 271.23 g/mol. Its IUPAC name is chloromethane;11-chloroundecanoic acid.

Molecular Properties

Compound Namechloromethane;11-chloroundecanoic acid
PubChem CID162366476
Molecular FormulaC12H24Cl2O2
Molecular Weight271.23 g/mol
Exact Mass270.12
IUPAC Namechloromethane;11-chloroundecanoic acid
SMILESCCl.O=C(O)CCCCCCCCCCCl
InChIInChI=1S/C11H21ClO2.CH3Cl/c12-10-8-6-4-2-1-3-5-7-9-11(13)14;1-2/h1-10H2,(H,13,14);1H3
InChIKeyDBLGWAQYLMRTMH-UHFFFAOYSA-N
XLogP4.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chloromethane;11-chloroundecanoic acid 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

7-chloroheptanoic acid
CID 13188
1-chloropentane;decanoic acid
CID 174719935
1-chloropentane;tetracosanoic acid
CID 174847534
18-chlorooctadec-9-enoic acid
CID 54535239
4-chlorobutanoic acid chloride
CID 53421306
chloromethane;pentanedioic acid
CID 159659659
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of chloromethane;11-chloroundecanoic acid?
The IUPAC name of chloromethane;11-chloroundecanoic acid (CID 162366476) is chloromethane;11-chloroundecanoic acid.
What is the SMILES notation for chloromethane;11-chloroundecanoic acid?
The canonical SMILES for chloromethane;11-chloroundecanoic acid is CCl.O=C(O)CCCCCCCCCCCl.
What is the InChIKey of chloromethane;11-chloroundecanoic acid?
The InChIKey is DBLGWAQYLMRTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2.CH3Cl/c12-10-8-6-4-2-1-3-5-7-9-11(13)14;1-2/h1-10H2,(H,13,14);1H3.
What are the key properties of chloromethane;11-chloroundecanoic acid?
chloromethane;11-chloroundecanoic acid has a molecular weight of 271.23 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;11-chloroundecanoic acid is sourced from PubChem (CID 162366476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).