1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane

C16H28 — CID 90808921

IUPAC1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane
SMILESC=CCCC1(C=C)C(C)(C)C1(CC)CCC
InChIInChI=1S/C16H28/c1-7-11-13-16(10-4)14(5,6)15(16,9-3)12-8-2/h7,10H,1,4,8-9,11-13H2,2-3,5-6H3
InChIKeyRYAOQCZDTVYRLU-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.36
Rot. Bonds7

About 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane

1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane (PubChem CID 90808921) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane.

Molecular Properties

Compound Name1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane
PubChem CID90808921
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane
SMILESC=CCCC1(C=C)C(C)(C)C1(CC)CCC
InChIInChI=1S/C16H28/c1-7-11-13-16(10-4)14(5,6)15(16,9-3)12-8-2/h7,10H,1,4,8-9,11-13H2,2-3,5-6H3
InChIKeyRYAOQCZDTVYRLU-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane?
The IUPAC name of 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane (CID 90808921) is 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane.
What is the SMILES notation for 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane?
The canonical SMILES for 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane is C=CCCC1(C=C)C(C)(C)C1(CC)CCC.
What is the InChIKey of 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane?
The InChIKey is RYAOQCZDTVYRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-7-11-13-16(10-4)14(5,6)15(16,9-3)12-8-2/h7,10H,1,4,8-9,11-13H2,2-3,5-6H3.
What are the key properties of 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane?
1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane has a molecular weight of 220.40 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-1-ethenyl-2-ethyl-3,3-dimethyl-2-propylcyclopropane is sourced from PubChem (CID 90808921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).