1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one

C14H26O — CID 114970040

IUPAC1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one
SMILESCCC1(C(=O)CCC(C)(C)C)CCCC1
InChIInChI=1S/C14H26O/c1-5-14(9-6-7-10-14)12(15)8-11-13(2,3)4/h5-11H2,1-4H3
InChIKeyWKYVPTHSLUJIMP-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds4

About 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one

1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one (PubChem CID 114970040) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one
PubChem CID114970040
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one
SMILESCCC1(C(=O)CCC(C)(C)C)CCCC1
InChIInChI=1S/C14H26O/c1-5-14(9-6-7-10-14)12(15)8-11-13(2,3)4/h5-11H2,1-4H3
InChIKeyWKYVPTHSLUJIMP-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one?
The IUPAC name of 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one (CID 114970040) is 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one is CCC1(C(=O)CCC(C)(C)C)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one?
The InChIKey is WKYVPTHSLUJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-14(9-6-7-10-14)12(15)8-11-13(2,3)4/h5-11H2,1-4H3.
What are the key properties of 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one?
1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 114970040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).