3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C15H27NO3 — CID 118744830

IUPAC3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C15H27NO3/c1-17-14-10-15(19-12-14)4-6-16(7-5-15)11-13-2-8-18-9-3-13/h13-14H,2-12H2,1H3
InChIKeyJYERAXNEXVFGKA-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.68
Rot. Bonds3

About 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118744830) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118744830
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C15H27NO3/c1-17-14-10-15(19-12-14)4-6-16(7-5-15)11-13-2-8-18-9-3-13/h13-14H,2-12H2,1H3
InChIKeyJYERAXNEXVFGKA-UHFFFAOYSA-N
XLogP1.68
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 118744830) is 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(CC3CCOCC3)CC2)C1.
What is the InChIKey of 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JYERAXNEXVFGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-17-14-10-15(19-12-14)4-6-16(7-5-15)11-13-2-8-18-9-3-13/h13-14H,2-12H2,1H3.
What are the key properties of 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 269.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118744830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).