methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate

C15H26O4 — CID 116774885

IUPACmethyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate
SMILESCCCCC(C(=O)OC)C(=O)C1(OCC)CCCC1
InChIInChI=1S/C15H26O4/c1-4-6-9-12(14(17)18-3)13(16)15(19-5-2)10-7-8-11-15/h12H,4-11H2,1-3H3
InChIKeyMKHZVDAKBKTYET-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.88
Rot. Bonds8

About methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate

methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate (PubChem CID 116774885) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate
PubChem CID116774885
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate
SMILESCCCCC(C(=O)OC)C(=O)C1(OCC)CCCC1
InChIInChI=1S/C15H26O4/c1-4-6-9-12(14(17)18-3)13(16)15(19-5-2)10-7-8-11-15/h12H,4-11H2,1-3H3
InChIKeyMKHZVDAKBKTYET-UHFFFAOYSA-N
XLogP2.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
dimethyl 2-dodecylpropanedioate
CID 158514957
1-(1-butoxycyclopentyl)-2-methylpropan-1-one
CID 176614425
methyl 2-(2,2-dimethylcyclopropanecarbonyl)hexanoate
CID 107925571
methyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]hexanoate
CID 103249119
tert-butyl 3-(1-ethoxycyclohexyl)-2-methyl-3-oxopropanoate
CID 116774910
1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
CID 116747883
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
methyl 2-acetyloctadecanoate
CID 88766742
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
methyl 3,6-dioxo-2-pentylheptanoate
CID 24971489
methyl (2S)-2-aminohexanoate
CID 7018840

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate?
The IUPAC name of methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate (CID 116774885) is methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate.
What is the SMILES notation for methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate?
The canonical SMILES for methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate is CCCCC(C(=O)OC)C(=O)C1(OCC)CCCC1.
What is the InChIKey of methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate?
The InChIKey is MKHZVDAKBKTYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-6-9-12(14(17)18-3)13(16)15(19-5-2)10-7-8-11-15/h12H,4-11H2,1-3H3.
What are the key properties of methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate?
methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate has a molecular weight of 270.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethoxycyclopentanecarbonyl)hexanoate is sourced from PubChem (CID 116774885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).