1,2-diethyl-1-methyl-2-pentylcyclopropane

C13H26 — CID 15496602

IUPAC1,2-diethyl-1-methyl-2-pentylcyclopropane
SMILESCCCCCC1(CC)CC1(C)CC
InChIInChI=1S/C13H26/c1-5-8-9-10-13(7-3)11-12(13,4)6-2/h5-11H2,1-4H3
InChIKeyUNOBMADZQOZRGA-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds6

About 1,2-diethyl-1-methyl-2-pentylcyclopropane

1,2-diethyl-1-methyl-2-pentylcyclopropane (PubChem CID 15496602) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2-diethyl-1-methyl-2-pentylcyclopropane.

Molecular Properties

Compound Name1,2-diethyl-1-methyl-2-pentylcyclopropane
PubChem CID15496602
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2-diethyl-1-methyl-2-pentylcyclopropane
SMILESCCCCCC1(CC)CC1(C)CC
InChIInChI=1S/C13H26/c1-5-8-9-10-13(7-3)11-12(13,4)6-2/h5-11H2,1-4H3
InChIKeyUNOBMADZQOZRGA-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-diethyl-1-methyl-2-pentylcyclopropane 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-Butyl-1-methyl-2-propylcyclopropane
CID 39066
2,2,3-Trimethyldecane
CID 112483
3,3-Dimethyloctane
CID 138117
3,3,4-Trimethyldecane
CID 39499
5-Ethyl-5-methyldecane
CID 28473
Pentamethylheptane
CID 3033849
3,3-Dimethylundecane
CID 28470
4,4-Dimethyl-undecane
CID 28471
5,5-Dimethylundecane
CID 28472
6,6-Dimethylundecane
CID 28474
2,2,3-Trimethylnonane
CID 41461
2,2,4,4,5,5,7,7-Octamethyloctane
CID 78850

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-methyl-2-pentylcyclopropane?
The IUPAC name of 1,2-diethyl-1-methyl-2-pentylcyclopropane (CID 15496602) is 1,2-diethyl-1-methyl-2-pentylcyclopropane.
What is the SMILES notation for 1,2-diethyl-1-methyl-2-pentylcyclopropane?
The canonical SMILES for 1,2-diethyl-1-methyl-2-pentylcyclopropane is CCCCCC1(CC)CC1(C)CC.
What is the InChIKey of 1,2-diethyl-1-methyl-2-pentylcyclopropane?
The InChIKey is UNOBMADZQOZRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-8-9-10-13(7-3)11-12(13,4)6-2/h5-11H2,1-4H3.
What are the key properties of 1,2-diethyl-1-methyl-2-pentylcyclopropane?
1,2-diethyl-1-methyl-2-pentylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-methyl-2-pentylcyclopropane is sourced from PubChem (CID 15496602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).