1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one

C15H28O — CID 144910534

IUPAC1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one
SMILESC=C(C)C(C)=O.CCCC1(CC)CCCC1
InChIInChI=1S/C10H20.C5H8O/c1-3-7-10(4-2)8-5-6-9-10;1-4(2)5(3)6/h3-9H2,1-2H3;1H2,2-3H3
InChIKeyNOWZGEBRODGTAU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.91
Rot. Bonds4

About 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one

1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one (PubChem CID 144910534) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one.

Molecular Properties

Compound Name1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one
PubChem CID144910534
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one
SMILESC=C(C)C(C)=O.CCCC1(CC)CCCC1
InChIInChI=1S/C10H20.C5H8O/c1-3-7-10(4-2)8-5-6-9-10;1-4(2)5(3)6/h3-9H2,1-2H3;1H2,2-3H3
InChIKeyNOWZGEBRODGTAU-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-propylcyclobutane
CID 58586108
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
2-(1-ethylcycloheptyl)ethanol
CID 164557788
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
CID 143490396
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310
N-[2-(1-ethylcyclopropyl)ethyl]-N-methylacetamide
CID 174286871
4-ethyl-4-propylcyclohexan-1-ol
CID 91476830
(3S)-3-ethyl-3-propylcyclohexan-1-one
CID 131089811
(3R)-3-ethyl-3-propylcyclohexan-1-one
CID 121217390
4-ethyl-4-propyloxane
CID 142221834

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one?
The IUPAC name of 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one (CID 144910534) is 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one.
What is the SMILES notation for 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one?
The canonical SMILES for 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one is C=C(C)C(C)=O.CCCC1(CC)CCCC1.
What is the InChIKey of 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one?
The InChIKey is NOWZGEBRODGTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C5H8O/c1-3-7-10(4-2)8-5-6-9-10;1-4(2)5(3)6/h3-9H2,1-2H3;1H2,2-3H3.
What are the key properties of 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one?
1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one has a molecular weight of 224.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one is sourced from PubChem (CID 144910534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).