ethyl N-(10-hydroxydecoxy)ethanimidate

C14H29NO3 — CID 71419610

IUPACethyl N-(10-hydroxydecoxy)ethanimidate
SMILESCCOC(C)=NOCCCCCCCCCCO
InChIInChI=1S/C14H29NO3/c1-3-17-14(2)15-18-13-11-9-7-5-4-6-8-10-12-16/h16H,3-13H2,1-2H3
InChIKeyHXMFZCXPHWFUIO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.49
Rot. Bonds12

About ethyl N-(10-hydroxydecoxy)ethanimidate

ethyl N-(10-hydroxydecoxy)ethanimidate (PubChem CID 71419610) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl N-(10-hydroxydecoxy)ethanimidate.

Molecular Properties

Compound Nameethyl N-(10-hydroxydecoxy)ethanimidate
PubChem CID71419610
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameethyl N-(10-hydroxydecoxy)ethanimidate
SMILESCCOC(C)=NOCCCCCCCCCCO
InChIInChI=1S/C14H29NO3/c1-3-17-14(2)15-18-13-11-9-7-5-4-6-8-10-12-16/h16H,3-13H2,1-2H3
InChIKeyHXMFZCXPHWFUIO-UHFFFAOYSA-N
XLogP3.49
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616
6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
CID 118175045
ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
ethyl (1E)-ethanehydrazonate
CID 57432796
(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
CID 163402876
ethyl acetate;pentane-1,5-diol
CID 88701644
(12-ethoxy-12-oxododecyl) 12-hydroxydodecanoate
CID 135019487
10-ethoxydecan-1-ol
CID 22412883
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
6-hydroxyhexyl 2-ethoxy-3-methylbut-2-enoate
CID 141252987
2-decoxyguanidine
CID 154161085
2-dodecoxyguanidine
CID 158305776

Frequently Asked Questions

What is the IUPAC name of ethyl N-(10-hydroxydecoxy)ethanimidate?
The IUPAC name of ethyl N-(10-hydroxydecoxy)ethanimidate (CID 71419610) is ethyl N-(10-hydroxydecoxy)ethanimidate.
What is the SMILES notation for ethyl N-(10-hydroxydecoxy)ethanimidate?
The canonical SMILES for ethyl N-(10-hydroxydecoxy)ethanimidate is CCOC(C)=NOCCCCCCCCCCO.
What is the InChIKey of ethyl N-(10-hydroxydecoxy)ethanimidate?
The InChIKey is HXMFZCXPHWFUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-17-14(2)15-18-13-11-9-7-5-4-6-8-10-12-16/h16H,3-13H2,1-2H3.
What are the key properties of ethyl N-(10-hydroxydecoxy)ethanimidate?
ethyl N-(10-hydroxydecoxy)ethanimidate has a molecular weight of 259.39 g/mol, XLogP of 3.49, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(10-hydroxydecoxy)ethanimidate is sourced from PubChem (CID 71419610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).