1-but-3-en-2-yl-1-ethylcyclopentane;propane

C17H36 — CID 145053026

IUPAC1-but-3-en-2-yl-1-ethylcyclopentane;propane
SMILESC=CC(C)C1(CC)CCCC1.CCC.CCC
InChIInChI=1S/C11H20.2C3H8/c1-4-10(3)11(5-2)8-6-7-9-11;2*1-3-2/h4,10H,1,5-9H2,2-3H3;2*3H2,1-2H3
InChIKeyHIIUXPWHAHAXMQ-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.61
Rot. Bonds3

About 1-but-3-en-2-yl-1-ethylcyclopentane;propane

1-but-3-en-2-yl-1-ethylcyclopentane;propane (PubChem CID 145053026) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 1-but-3-en-2-yl-1-ethylcyclopentane;propane.

Molecular Properties

Compound Name1-but-3-en-2-yl-1-ethylcyclopentane;propane
PubChem CID145053026
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name1-but-3-en-2-yl-1-ethylcyclopentane;propane
SMILESC=CC(C)C1(CC)CCCC1.CCC.CCC
InChIInChI=1S/C11H20.2C3H8/c1-4-10(3)11(5-2)8-6-7-9-11;2*1-3-2/h4,10H,1,5-9H2,2-3H3;2*3H2,1-2H3
InChIKeyHIIUXPWHAHAXMQ-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylcyclohexyl)-N-methylethanamine
CID 142438459
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-en-1-amine
CID 105000647
[1-(1-ethylcyclopentyl)-2-methylpropyl]hydrazine
CID 105281723
[1-(1-ethylcyclopentyl)-2-methylprop-2-enyl]hydrazine
CID 105320113
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
1-ethyl-1-(2-methylpentan-3-yl)cyclobutane
CID 170720683
[1-(1-ethylcyclopentyl)-2-methylpentyl]hydrazine
CID 107896028
N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine
CID 104995634
2-ethyl-1-(1-ethylcyclopentyl)butan-1-amine
CID 105013946
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
1-(1-ethylcyclopentyl)-2-propan-2-yloxyethanol
CID 115821425
1-(1-ethylcyclopentyl)-N,4-dimethylpent-4-en-1-amine
CID 105039581

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-1-ethylcyclopentane;propane?
The IUPAC name of 1-but-3-en-2-yl-1-ethylcyclopentane;propane (CID 145053026) is 1-but-3-en-2-yl-1-ethylcyclopentane;propane.
What is the SMILES notation for 1-but-3-en-2-yl-1-ethylcyclopentane;propane?
The canonical SMILES for 1-but-3-en-2-yl-1-ethylcyclopentane;propane is C=CC(C)C1(CC)CCCC1.CCC.CCC.
What is the InChIKey of 1-but-3-en-2-yl-1-ethylcyclopentane;propane?
The InChIKey is HIIUXPWHAHAXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.2C3H8/c1-4-10(3)11(5-2)8-6-7-9-11;2*1-3-2/h4,10H,1,5-9H2,2-3H3;2*3H2,1-2H3.
What are the key properties of 1-but-3-en-2-yl-1-ethylcyclopentane;propane?
1-but-3-en-2-yl-1-ethylcyclopentane;propane has a molecular weight of 240.47 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-1-ethylcyclopentane;propane is sourced from PubChem (CID 145053026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).