1-(1-ethylcyclopentyl)hex-4-yn-1-one

C13H20O — CID 115801596

IUPAC1-(1-ethylcyclopentyl)hex-4-yn-1-one
SMILESCC#CCCC(=O)C1(CC)CCCC1
InChIInChI=1S/C13H20O/c1-3-5-6-9-12(14)13(4-2)10-7-8-11-13/h4,6-11H2,1-2H3
InChIKeyBOWCYGQKWLORJN-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.33
Rot. Bonds4

About 1-(1-ethylcyclopentyl)hex-4-yn-1-one

1-(1-ethylcyclopentyl)hex-4-yn-1-one (PubChem CID 115801596) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)hex-4-yn-1-one.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)hex-4-yn-1-one
PubChem CID115801596
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(1-ethylcyclopentyl)hex-4-yn-1-one
SMILESCC#CCCC(=O)C1(CC)CCCC1
InChIInChI=1S/C13H20O/c1-3-5-6-9-12(14)13(4-2)10-7-8-11-13/h4,6-11H2,1-2H3
InChIKeyBOWCYGQKWLORJN-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopentyl)hex-4-yn-1-one
CID 115801490
1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one
CID 116601420
1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one
CID 114970040
1-(1-methoxycyclobutyl)hex-4-yn-1-one
CID 116706870
3-(1-ethylcyclohexyl)-3-oxopropanenitrile
CID 13234261
1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one
CID 114964885
1-(1-ethylcyclopentyl)-2-methoxyethanone
CID 115783356
1-(1-methylcyclopentyl)pent-3-yn-1-one
CID 114964878
1-(4-aminooxan-4-yl)hex-4-yn-1-one
CID 116604779
1-(1-ethylcyclopentyl)oct-7-en-1-one
CID 107011252
1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one
CID 116570384

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)hex-4-yn-1-one?
The IUPAC name of 1-(1-ethylcyclopentyl)hex-4-yn-1-one (CID 115801596) is 1-(1-ethylcyclopentyl)hex-4-yn-1-one.
What is the SMILES notation for 1-(1-ethylcyclopentyl)hex-4-yn-1-one?
The canonical SMILES for 1-(1-ethylcyclopentyl)hex-4-yn-1-one is CC#CCCC(=O)C1(CC)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)hex-4-yn-1-one?
The InChIKey is BOWCYGQKWLORJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-5-6-9-12(14)13(4-2)10-7-8-11-13/h4,6-11H2,1-2H3.
What are the key properties of 1-(1-ethylcyclopentyl)hex-4-yn-1-one?
1-(1-ethylcyclopentyl)hex-4-yn-1-one has a molecular weight of 192.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)hex-4-yn-1-one is sourced from PubChem (CID 115801596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).