2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane

C12H20 — CID 123405993

IUPAC2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane
SMILESCC#CCCC1C(CC)C1(C)C
InChIInChI=1S/C12H20/c1-5-7-8-9-11-10(6-2)12(11,3)4/h10-11H,6,8-9H2,1-4H3
InChIKeyUSCFPAFGUSFMAC-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds3

About 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane

2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane (PubChem CID 123405993) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane.

Molecular Properties

Compound Name2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane
PubChem CID123405993
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane
SMILESCC#CCCC1C(CC)C1(C)C
InChIInChI=1S/C12H20/c1-5-7-8-9-11-10(6-2)12(11,3)4/h10-11H,6,8-9H2,1-4H3
InChIKeyUSCFPAFGUSFMAC-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane 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
1,1-Dimethyl-2-propyl-cyclopropane
CID 142552
1,1-Dimethyl-2-hexylcyclopropane
CID 142553
1,1,2-Trimethyl-3-(2-methylpropyl)cyclopropane
CID 544064
1,1-Dimethyl-2-pentylcyclopropane
CID 522029
1,2-Dimethyl-1-pentylcyclopropane
CID 524630
Cyclopropane, 1-(2-methylbutyl)-1-(1-methylpropyl)-
CID 545774
Cyclopropane, 1,2-dibutyl-1,2-diethyl-
CID 11367815
1-(n-Butyl)-1,2-diethylcyclopropane
CID 11815966
1,2-Diethyl-1-pentylcyclopropane
CID 15496601
Caryn
CID 20056476
Tetramethylde-cyne
CID 22267109

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane?
The IUPAC name of 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane (CID 123405993) is 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane.
What is the SMILES notation for 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane?
The canonical SMILES for 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane is CC#CCCC1C(CC)C1(C)C.
What is the InChIKey of 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane?
The InChIKey is USCFPAFGUSFMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-7-8-9-11-10(6-2)12(11,3)4/h10-11H,6,8-9H2,1-4H3.
What are the key properties of 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane?
2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dimethyl-3-pent-3-ynylcyclopropane is sourced from PubChem (CID 123405993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).