4-morpholin-4-yloxane-4-carbaldehyde

C10H17NO3 — CID 115021691

IUPAC4-morpholin-4-yloxane-4-carbaldehyde
SMILESO=CC1(N2CCOCC2)CCOCC1
InChIInChI=1S/C10H17NO3/c12-9-10(1-5-13-6-2-10)11-3-7-14-8-4-11/h9H,1-8H2
InChIKeyYDGJICXNPXVZNT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.07
Rot. Bonds2

About 4-morpholin-4-yloxane-4-carbaldehyde

4-morpholin-4-yloxane-4-carbaldehyde (PubChem CID 115021691) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-morpholin-4-yloxane-4-carbaldehyde.

Molecular Properties

Compound Name4-morpholin-4-yloxane-4-carbaldehyde
PubChem CID115021691
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-morpholin-4-yloxane-4-carbaldehyde
SMILESO=CC1(N2CCOCC2)CCOCC1
InChIInChI=1S/C10H17NO3/c12-9-10(1-5-13-6-2-10)11-3-7-14-8-4-11/h9H,1-8H2
InChIKeyYDGJICXNPXVZNT-UHFFFAOYSA-N
XLogP0.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yloxane-4-carbaldehyde?
The IUPAC name of 4-morpholin-4-yloxane-4-carbaldehyde (CID 115021691) is 4-morpholin-4-yloxane-4-carbaldehyde.
What is the SMILES notation for 4-morpholin-4-yloxane-4-carbaldehyde?
The canonical SMILES for 4-morpholin-4-yloxane-4-carbaldehyde is O=CC1(N2CCOCC2)CCOCC1.
What is the InChIKey of 4-morpholin-4-yloxane-4-carbaldehyde?
The InChIKey is YDGJICXNPXVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9-10(1-5-13-6-2-10)11-3-7-14-8-4-11/h9H,1-8H2.
What are the key properties of 4-morpholin-4-yloxane-4-carbaldehyde?
4-morpholin-4-yloxane-4-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yloxane-4-carbaldehyde is sourced from PubChem (CID 115021691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).