6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane

C12H25NO2 — CID 144871456

IUPAC6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane
SMILESCC.CC/C(C)=N/OCCCCCC=O
InChIInChI=1S/C10H19NO2.C2H6/c1-3-10(2)11-13-9-7-5-4-6-8-12;1-2/h8H,3-7,9H2,1-2H3;1-2H3/b11-10+;
InChIKeyUDDUGZHOHZCYQG-ASTDGNLGSA-N
MW215.34 g/mol
LogP3.57
Rot. Bonds8

About 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane

6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane (PubChem CID 144871456) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane.

Molecular Properties

Compound Name6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane
PubChem CID144871456
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane
SMILESCC.CC/C(C)=N/OCCCCCC=O
InChIInChI=1S/C10H19NO2.C2H6/c1-3-10(2)11-13-9-7-5-4-6-8-12;1-2/h8H,3-7,9H2,1-2H3;1-2H3/b11-10+;
InChIKeyUDDUGZHOHZCYQG-ASTDGNLGSA-N
XLogP3.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
CID 163402876
3-(propan-2-ylideneamino)oxypropanal
CID 145076965
8-oxodecanal
CID 118225653
acetyl 9-oxononanoate
CID 174949350
16-(16-oxohexadecoxy)hexadecanal
CID 87509641
10-(10-oxodecoxy)decanal
CID 151900645
ruthenium;tridecanal
CID 175429355
nonanoyl 9-oxononanoate
CID 134607254
ethyl N-(3-oxopropoxy)ethanimidate
CID 71374207
pentadecanedial
CID 22887412
bis(6-oxohexanoyl) dodecanedioate
CID 57274603
decanal;decane
CID 157361056

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane?
The IUPAC name of 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane (CID 144871456) is 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane.
What is the SMILES notation for 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane?
The canonical SMILES for 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane is CC.CC/C(C)=N/OCCCCCC=O.
What is the InChIKey of 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane?
The InChIKey is UDDUGZHOHZCYQG-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-3-10(2)11-13-9-7-5-4-6-8-12;1-2/h8H,3-7,9H2,1-2H3;1-2H3/b11-10+;.
What are the key properties of 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane?
6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane has a molecular weight of 215.34 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane is sourced from PubChem (CID 144871456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).