ethyl 5-(oxolan-3-yl)pentanoate

C11H20O3 — CID 142409094

IUPACethyl 5-(oxolan-3-yl)pentanoate
SMILESCCOC(=O)CCCCC1CCOC1
InChIInChI=1S/C11H20O3/c1-2-14-11(12)6-4-3-5-10-7-8-13-9-10/h10H,2-9H2,1H3
InChIKeyGFBRZOGFIFTJAR-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.15
Rot. Bonds6

About ethyl 5-(oxolan-3-yl)pentanoate

ethyl 5-(oxolan-3-yl)pentanoate (PubChem CID 142409094) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 5-(oxolan-3-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(oxolan-3-yl)pentanoate
PubChem CID142409094
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 5-(oxolan-3-yl)pentanoate
SMILESCCOC(=O)CCCCC1CCOC1
InChIInChI=1S/C11H20O3/c1-2-14-11(12)6-4-3-5-10-7-8-13-9-10/h10H,2-9H2,1H3
InChIKeyGFBRZOGFIFTJAR-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
5-(oxolan-3-yl)pentanoic acid
CID 142409072
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
diethyl hexanedioate
CID 160747628
oxolan-3-ylmethyl (Z)-octadec-9-enoate
CID 21160037
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
ethyl 4-piperidin-1-ium-4-ylbutanoate
CID 27282174
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
diethyl icosanedioate
CID 5058538
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(oxolan-3-yl)pentanoate?
The IUPAC name of ethyl 5-(oxolan-3-yl)pentanoate (CID 142409094) is ethyl 5-(oxolan-3-yl)pentanoate.
What is the SMILES notation for ethyl 5-(oxolan-3-yl)pentanoate?
The canonical SMILES for ethyl 5-(oxolan-3-yl)pentanoate is CCOC(=O)CCCCC1CCOC1.
What is the InChIKey of ethyl 5-(oxolan-3-yl)pentanoate?
The InChIKey is GFBRZOGFIFTJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-14-11(12)6-4-3-5-10-7-8-13-9-10/h10H,2-9H2,1H3.
What are the key properties of ethyl 5-(oxolan-3-yl)pentanoate?
ethyl 5-(oxolan-3-yl)pentanoate has a molecular weight of 200.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(oxolan-3-yl)pentanoate is sourced from PubChem (CID 142409094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).