4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane

C16H29NO3 — CID 131663423

IUPAC4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)OCCC2CCOCC1CCOCC1
InChIInChI=1S/C16H29NO3/c1-9-18-10-2-14(1)13-19-11-3-15-4-12-20-16(15)5-7-17-8-6-16/h14-15,17H,1-13H2
InChIKeyWYHCUPOIDGOWPZ-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.98
Rot. Bonds5

About 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane

4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131663423) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID131663423
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)OCCC2CCOCC1CCOCC1
InChIInChI=1S/C16H29NO3/c1-9-18-10-2-14(1)13-19-11-3-15-4-12-20-16(15)5-7-17-8-6-16/h14-15,17H,1-13H2
InChIKeyWYHCUPOIDGOWPZ-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane (CID 131663423) is 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane is C1CC2(CCN1)OCCC2CCOCC1CCOCC1.
What is the InChIKey of 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is WYHCUPOIDGOWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-9-18-10-2-14(1)13-19-11-3-15-4-12-20-16(15)5-7-17-8-6-16/h14-15,17H,1-13H2.
What are the key properties of 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane?
4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 283.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131663423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).