acetic acid;2,2-diethylmorpholine

C10H21NO3 — CID 70348686

IUPACacetic acid;2,2-diethylmorpholine
SMILESCC(=O)O.CCC1(CC)CNCCO1
InChIInChI=1S/C8H17NO.C2H4O2/c1-3-8(4-2)7-9-5-6-10-8;1-2(3)4/h9H,3-7H2,1-2H3;1H3,(H,3,4)
InChIKeyFZKLPVZMWMTYJT-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.26
Rot. Bonds2

About acetic acid;2,2-diethylmorpholine

acetic acid;2,2-diethylmorpholine (PubChem CID 70348686) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is acetic acid;2,2-diethylmorpholine.

Molecular Properties

Compound Nameacetic acid;2,2-diethylmorpholine
PubChem CID70348686
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameacetic acid;2,2-diethylmorpholine
SMILESCC(=O)O.CCC1(CC)CNCCO1
InChIInChI=1S/C8H17NO.C2H4O2/c1-3-8(4-2)7-9-5-6-10-8;1-2(3)4/h9H,3-7H2,1-2H3;1H3,(H,3,4)
InChIKeyFZKLPVZMWMTYJT-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea
CID 165450302
2-ethyl-2-octylmorpholine;hydrate;hydrochloride
CID 67566490
2-chloro-2-ethylmorpholine;hydrochloride
CID 174494069
2,2-didodecylmorpholine;hydrofluoride
CID 173000581
[(2R)-2-methylmorpholin-2-yl]methanol
CID 162361659
(2-methylmorpholin-2-yl)methanol
CID 135262535
1-(2-methoxymorpholin-2-yl)propan-1-one
CID 174878714
(2R)-2-methylmorpholine-2-carboxamide
CID 92632786
(2S)-2-methylmorpholine-2-carboxamide
CID 92632785
2-(2-ethyloxolan-2-yl)acetic acid
CID 18432801
2-ethylmorpholine-2-carbonitrile
CID 130972238
2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol
CID 70114971

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-diethylmorpholine?
The IUPAC name of acetic acid;2,2-diethylmorpholine (CID 70348686) is acetic acid;2,2-diethylmorpholine.
What is the SMILES notation for acetic acid;2,2-diethylmorpholine?
The canonical SMILES for acetic acid;2,2-diethylmorpholine is CC(=O)O.CCC1(CC)CNCCO1.
What is the InChIKey of acetic acid;2,2-diethylmorpholine?
The InChIKey is FZKLPVZMWMTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H4O2/c1-3-8(4-2)7-9-5-6-10-8;1-2(3)4/h9H,3-7H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,2-diethylmorpholine?
acetic acid;2,2-diethylmorpholine has a molecular weight of 203.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-diethylmorpholine is sourced from PubChem (CID 70348686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).