ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate

C10H19NO4 — CID 11820653

IUPACethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate
SMILESCCOC(=O)CCCCN1COCOC1
InChIInChI=1S/C10H19NO4/c1-2-15-10(12)5-3-4-6-11-7-13-9-14-8-11/h2-9H2,1H3
InChIKeyVRNNMHBHONGGDP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.94
Rot. Bonds6

About ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate

ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate (PubChem CID 11820653) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate
PubChem CID11820653
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate
SMILESCCOC(=O)CCCCN1COCOC1
InChIInChI=1S/C10H19NO4/c1-2-15-10(12)5-3-4-6-11-7-13-9-14-8-11/h2-9H2,1H3
InChIKeyVRNNMHBHONGGDP-UHFFFAOYSA-N
XLogP0.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
6-O-(1,3-dioxan-5-yl) 1-O-ethyl hexanedioate
CID 141453634
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]hexanoate
CID 114042473
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate?
The IUPAC name of ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate (CID 11820653) is ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate.
What is the SMILES notation for ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate?
The canonical SMILES for ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate is CCOC(=O)CCCCN1COCOC1.
What is the InChIKey of ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate?
The InChIKey is VRNNMHBHONGGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-15-10(12)5-3-4-6-11-7-13-9-14-8-11/h2-9H2,1H3.
What are the key properties of ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate?
ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate has a molecular weight of 217.26 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate is sourced from PubChem (CID 11820653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).