2-methyltridecylcyclopropane

C17H34 — CID 123424034

IUPAC2-methyltridecylcyclopropane
SMILESCCCCCCCCCCCC(C)CC1CC1
InChIInChI=1S/C17H34/c1-3-4-5-6-7-8-9-10-11-12-16(2)15-17-13-14-17/h16-17H,3-15H2,1-2H3
InChIKeyMAKFFMCPHUKIRJ-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.34
Rot. Bonds12

About 2-methyltridecylcyclopropane

2-methyltridecylcyclopropane (PubChem CID 123424034) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 2-methyltridecylcyclopropane.

Molecular Properties

Compound Name2-methyltridecylcyclopropane
PubChem CID123424034
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name2-methyltridecylcyclopropane
SMILESCCCCCCCCCCCC(C)CC1CC1
InChIInChI=1S/C17H34/c1-3-4-5-6-7-8-9-10-11-12-16(2)15-17-13-14-17/h16-17H,3-15H2,1-2H3
InChIKeyMAKFFMCPHUKIRJ-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyltridecylcyclopropane 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

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 2-methyltridecylcyclopropane?
The IUPAC name of 2-methyltridecylcyclopropane (CID 123424034) is 2-methyltridecylcyclopropane.
What is the SMILES notation for 2-methyltridecylcyclopropane?
The canonical SMILES for 2-methyltridecylcyclopropane is CCCCCCCCCCCC(C)CC1CC1.
What is the InChIKey of 2-methyltridecylcyclopropane?
The InChIKey is MAKFFMCPHUKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-3-4-5-6-7-8-9-10-11-12-16(2)15-17-13-14-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-methyltridecylcyclopropane?
2-methyltridecylcyclopropane has a molecular weight of 238.46 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltridecylcyclopropane is sourced from PubChem (CID 123424034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).