1-(1-ethylcyclopentyl)heptan-1-one

C14H26O — CID 114966682

IUPAC1-(1-ethylcyclopentyl)heptan-1-one
SMILESCCCCCCC(=O)C1(CC)CCCC1
InChIInChI=1S/C14H26O/c1-3-5-6-7-10-13(15)14(4-2)11-8-9-12-14/h3-12H2,1-2H3
InChIKeyNYLKEIVCFZYVMT-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.50
Rot. Bonds7

About 1-(1-ethylcyclopentyl)heptan-1-one

1-(1-ethylcyclopentyl)heptan-1-one (PubChem CID 114966682) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)heptan-1-one.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)heptan-1-one
PubChem CID114966682
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(1-ethylcyclopentyl)heptan-1-one
SMILESCCCCCCC(=O)C1(CC)CCCC1
InChIInChI=1S/C14H26O/c1-3-5-6-7-10-13(15)14(4-2)11-8-9-12-14/h3-12H2,1-2H3
InChIKeyNYLKEIVCFZYVMT-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975
1-(1-ethylcyclopentyl)oct-7-en-1-one
CID 107011252
1-(3-ethylpyrrolidin-3-yl)nonan-1-one
CID 116570178
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
1-(1-aminocyclobutyl)octan-1-one
CID 116598372
1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one
CID 114970040
1-(1-aminocyclopropyl)tridecan-1-one
CID 116576674
1-(1-piperidin-1-ylcyclopentyl)nonan-1-one
CID 79059235
1-[4-(aminomethyl)oxan-4-yl]octan-1-one
CID 116603025
1-(1-ethylcyclopentyl)hex-4-yn-1-one
CID 115801596

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)heptan-1-one?
The IUPAC name of 1-(1-ethylcyclopentyl)heptan-1-one (CID 114966682) is 1-(1-ethylcyclopentyl)heptan-1-one.
What is the SMILES notation for 1-(1-ethylcyclopentyl)heptan-1-one?
The canonical SMILES for 1-(1-ethylcyclopentyl)heptan-1-one is CCCCCCC(=O)C1(CC)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)heptan-1-one?
The InChIKey is NYLKEIVCFZYVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-6-7-10-13(15)14(4-2)11-8-9-12-14/h3-12H2,1-2H3.
What are the key properties of 1-(1-ethylcyclopentyl)heptan-1-one?
1-(1-ethylcyclopentyl)heptan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)heptan-1-one is sourced from PubChem (CID 114966682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).