1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane

C11H18 — CID 90935883

IUPAC1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane
SMILESCC#CC(C)C1CC1(C)CC
InChIInChI=1S/C11H18/c1-5-7-9(3)10-8-11(10,4)6-2/h9-10H,6,8H2,1-4H3
InChIKeyPXBSQTYQNVSKFP-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds2

About 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane

1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane (PubChem CID 90935883) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane
PubChem CID90935883
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane
SMILESCC#CC(C)C1CC1(C)CC
InChIInChI=1S/C11H18/c1-5-7-9(3)10-8-11(10,4)6-2/h9-10H,6,8H2,1-4H3
InChIKeyPXBSQTYQNVSKFP-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane?
The IUPAC name of 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane (CID 90935883) is 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane.
What is the SMILES notation for 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane?
The canonical SMILES for 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane is CC#CC(C)C1CC1(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane?
The InChIKey is PXBSQTYQNVSKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-7-9(3)10-8-11(10,4)6-2/h9-10H,6,8H2,1-4H3.
What are the key properties of 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane?
1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane has a molecular weight of 150.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-pent-3-yn-2-ylcyclopropane is sourced from PubChem (CID 90935883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).