1-morpholin-2-ylethyl decanoate

C16H31NO3 — CID 174600549

IUPAC1-morpholin-2-ylethyl decanoate
SMILESCCCCCCCCCC(=O)OC(C)C1CNCCO1
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-16(18)20-14(2)15-13-17-11-12-19-15/h14-15,17H,3-13H2,1-2H3
InChIKeyQNHQVFJTBBTSEV-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.05
Rot. Bonds10

About 1-morpholin-2-ylethyl decanoate

1-morpholin-2-ylethyl decanoate (PubChem CID 174600549) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-morpholin-2-ylethyl decanoate.

Molecular Properties

Compound Name1-morpholin-2-ylethyl decanoate
PubChem CID174600549
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-morpholin-2-ylethyl decanoate
SMILESCCCCCCCCCC(=O)OC(C)C1CNCCO1
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-16(18)20-14(2)15-13-17-11-12-19-15/h14-15,17H,3-13H2,1-2H3
InChIKeyQNHQVFJTBBTSEV-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-2-yloctan-1-one
CID 70601940
1-morpholin-2-ylhexadecan-1-one
CID 70404670
1-morpholin-2-ylethyl prop-2-enoate
CID 22556289
1-cycloheptylethyl undecanoate
CID 173328758
1-cyclohexylethyl tridecanoate
CID 173328864
1-hydroxyethyl decanoate
CID 176884014
1-hydroxyethyl hexadecanoate
CID 87454687
1-[1-[1-[(Z)-octadec-9-enoyl]oxyethyl]piperazin-2-yl]ethyl octadec-9-enoate
CID 175579245
propan-2-yl undecanoate
CID 3016538
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
O-[1-[(2R)-morpholin-2-yl]ethyl]hydroxylamine
CID 89160024
(Z)-1-morpholin-2-yloctadec-9-en-1-one
CID 174553797

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylethyl decanoate?
The IUPAC name of 1-morpholin-2-ylethyl decanoate (CID 174600549) is 1-morpholin-2-ylethyl decanoate.
What is the SMILES notation for 1-morpholin-2-ylethyl decanoate?
The canonical SMILES for 1-morpholin-2-ylethyl decanoate is CCCCCCCCCC(=O)OC(C)C1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylethyl decanoate?
The InChIKey is QNHQVFJTBBTSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-16(18)20-14(2)15-13-17-11-12-19-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 1-morpholin-2-ylethyl decanoate?
1-morpholin-2-ylethyl decanoate has a molecular weight of 285.43 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylethyl decanoate is sourced from PubChem (CID 174600549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).