4-hex-2-ynylmorpholine

C10H17NO — CID 122403404

IUPAC4-hex-2-ynylmorpholine
SMILESCCCC#CCN1CCOCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-3,6-10H2,1H3
InChIKeyCKGYPJMWEJLDTM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.12
Rot. Bonds2

About 4-hex-2-ynylmorpholine

4-hex-2-ynylmorpholine (PubChem CID 122403404) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-hex-2-ynylmorpholine.

Molecular Properties

Compound Name4-hex-2-ynylmorpholine
PubChem CID122403404
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-hex-2-ynylmorpholine
SMILESCCCC#CCN1CCOCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-3,6-10H2,1H3
InChIKeyCKGYPJMWEJLDTM-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hex-2-ynylmorpholine?
The IUPAC name of 4-hex-2-ynylmorpholine (CID 122403404) is 4-hex-2-ynylmorpholine.
What is the SMILES notation for 4-hex-2-ynylmorpholine?
The canonical SMILES for 4-hex-2-ynylmorpholine is CCCC#CCN1CCOCC1.
What is the InChIKey of 4-hex-2-ynylmorpholine?
The InChIKey is CKGYPJMWEJLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-3,6-10H2,1H3.
What are the key properties of 4-hex-2-ynylmorpholine?
4-hex-2-ynylmorpholine has a molecular weight of 167.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-2-ynylmorpholine is sourced from PubChem (CID 122403404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).