propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate

C17H30O3 — CID 19748326

IUPACpropyl 3-(3-ethylcyclohexanecarbonyl)pentanoate
SMILESCCCOC(=O)CC(CC)C(=O)C1CCCC(CC)C1
InChIInChI=1S/C17H30O3/c1-4-10-20-16(18)12-14(6-3)17(19)15-9-7-8-13(5-2)11-15/h13-15H,4-12H2,1-3H3
InChIKeyJZMMEHCYFKVDPN-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.14
Rot. Bonds8

About propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate

propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate (PubChem CID 19748326) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate.

Molecular Properties

Compound Namepropyl 3-(3-ethylcyclohexanecarbonyl)pentanoate
PubChem CID19748326
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Namepropyl 3-(3-ethylcyclohexanecarbonyl)pentanoate
SMILESCCCOC(=O)CC(CC)C(=O)C1CCCC(CC)C1
InChIInChI=1S/C17H30O3/c1-4-10-20-16(18)12-14(6-3)17(19)15-9-7-8-13(5-2)11-15/h13-15H,4-12H2,1-3H3
InChIKeyJZMMEHCYFKVDPN-UHFFFAOYSA-N
XLogP4.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
CID 116606831
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
3-O-methyl 1-O-propyl cyclohexane-1,3-dicarboxylate
CID 66983427
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
propyl 3-cyclopentylpropanoate
CID 43389546
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
CID 116566931
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562

Frequently Asked Questions

What is the IUPAC name of propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate?
The IUPAC name of propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate (CID 19748326) is propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate.
What is the SMILES notation for propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate?
The canonical SMILES for propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate is CCCOC(=O)CC(CC)C(=O)C1CCCC(CC)C1.
What is the InChIKey of propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate?
The InChIKey is JZMMEHCYFKVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-4-10-20-16(18)12-14(6-3)17(19)15-9-7-8-13(5-2)11-15/h13-15H,4-12H2,1-3H3.
What are the key properties of propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate?
propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate has a molecular weight of 282.42 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate is sourced from PubChem (CID 19748326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).