(5-ethyl-5-methylheptyl)cyclopropane

C13H26 — CID 123293142

IUPAC(5-ethyl-5-methylheptyl)cyclopropane
SMILESCCC(C)(CC)CCCCC1CC1
InChIInChI=1S/C13H26/c1-4-13(3,5-2)11-7-6-8-12-9-10-12/h12H,4-11H2,1-3H3
InChIKeyAGFIKNNZQZGMAJ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds7

About (5-ethyl-5-methylheptyl)cyclopropane

(5-ethyl-5-methylheptyl)cyclopropane (PubChem CID 123293142) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (5-ethyl-5-methylheptyl)cyclopropane.

Molecular Properties

Compound Name(5-ethyl-5-methylheptyl)cyclopropane
PubChem CID123293142
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(5-ethyl-5-methylheptyl)cyclopropane
SMILESCCC(C)(CC)CCCCC1CC1
InChIInChI=1S/C13H26/c1-4-13(3,5-2)11-7-6-8-12-9-10-12/h12H,4-11H2,1-3H3
InChIKeyAGFIKNNZQZGMAJ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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 (5-ethyl-5-methylheptyl)cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-5-methylheptyl)cyclopropane?
The IUPAC name of (5-ethyl-5-methylheptyl)cyclopropane (CID 123293142) is (5-ethyl-5-methylheptyl)cyclopropane.
What is the SMILES notation for (5-ethyl-5-methylheptyl)cyclopropane?
The canonical SMILES for (5-ethyl-5-methylheptyl)cyclopropane is CCC(C)(CC)CCCCC1CC1.
What is the InChIKey of (5-ethyl-5-methylheptyl)cyclopropane?
The InChIKey is AGFIKNNZQZGMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-13(3,5-2)11-7-6-8-12-9-10-12/h12H,4-11H2,1-3H3.
What are the key properties of (5-ethyl-5-methylheptyl)cyclopropane?
(5-ethyl-5-methylheptyl)cyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-5-methylheptyl)cyclopropane is sourced from PubChem (CID 123293142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).