2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane

C14H26 — CID 90923060

IUPAC2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane
SMILESC=CC(C)CCCCC1(C)CC1CC
InChIInChI=1S/C14H26/c1-5-12(3)9-7-8-10-14(4)11-13(14)6-2/h5,12-13H,1,6-11H2,2-4H3
InChIKeyNZCGHWGGVWOKMT-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds7

About 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane

2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane (PubChem CID 90923060) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane.

Molecular Properties

Compound Name2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane
PubChem CID90923060
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane
SMILESC=CC(C)CCCCC1(C)CC1CC
InChIInChI=1S/C14H26/c1-5-12(3)9-7-8-10-14(4)11-13(14)6-2/h5,12-13H,1,6-11H2,2-4H3
InChIKeyNZCGHWGGVWOKMT-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)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 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane?
The IUPAC name of 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane (CID 90923060) is 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane.
What is the SMILES notation for 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane?
The canonical SMILES for 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane is C=CC(C)CCCCC1(C)CC1CC.
What is the InChIKey of 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane?
The InChIKey is NZCGHWGGVWOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-12(3)9-7-8-10-14(4)11-13(14)6-2/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane?
2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane has a molecular weight of 194.36 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1-(5-methylhept-6-enyl)cyclopropane is sourced from PubChem (CID 90923060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).