1-chloro-1-methylcyclotridecane

C14H27Cl — CID 71082065

IUPAC1-chloro-1-methylcyclotridecane
SMILESCC1(Cl)CCCCCCCCCCCC1
InChIInChI=1S/C14H27Cl/c1-14(15)12-10-8-6-4-2-3-5-7-9-11-13-14/h2-13H2,1H3
InChIKeyAJMNBYIONWPDIM-UHFFFAOYSA-N
MW230.82 g/mol
LogP5.68
Rot. Bonds

About 1-chloro-1-methylcyclotridecane

1-chloro-1-methylcyclotridecane (PubChem CID 71082065) has the molecular formula C14H27Cl and a molecular weight of 230.82 g/mol. Its IUPAC name is 1-chloro-1-methylcyclotridecane.

Molecular Properties

Compound Name1-chloro-1-methylcyclotridecane
PubChem CID71082065
Molecular FormulaC14H27Cl
Molecular Weight230.82 g/mol
Exact Mass230.18
IUPAC Name1-chloro-1-methylcyclotridecane
SMILESCC1(Cl)CCCCCCCCCCCC1
InChIInChI=1S/C14H27Cl/c1-14(15)12-10-8-6-4-2-3-5-7-9-11-13-14/h2-13H2,1H3
InChIKeyAJMNBYIONWPDIM-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.82
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-1-methylcyclotridecane 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

1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
1-chloro-6-iodo-1-methylcycloundecane
CID 170100175
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1,1-dichlorocyclooctane
CID 13066177
1,1-dichlorocyclohexane;dihydrochloride
CID 175162377
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
1-(iodomethoxy)-1-methylcyclohexane
CID 142277967
(1-methylcyclooctyl)methanamine
CID 80603984

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methylcyclotridecane?
The IUPAC name of 1-chloro-1-methylcyclotridecane (CID 71082065) is 1-chloro-1-methylcyclotridecane.
What is the SMILES notation for 1-chloro-1-methylcyclotridecane?
The canonical SMILES for 1-chloro-1-methylcyclotridecane is CC1(Cl)CCCCCCCCCCCC1.
What is the InChIKey of 1-chloro-1-methylcyclotridecane?
The InChIKey is AJMNBYIONWPDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl/c1-14(15)12-10-8-6-4-2-3-5-7-9-11-13-14/h2-13H2,1H3.
What are the key properties of 1-chloro-1-methylcyclotridecane?
1-chloro-1-methylcyclotridecane has a molecular weight of 230.82 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methylcyclotridecane is sourced from PubChem (CID 71082065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).