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

C16H29NO3 — CID 118744821

IUPAC3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C16H29NO3/c1-2-19-15-11-16(20-13-15)5-7-17(8-6-16)12-14-3-9-18-10-4-14/h14-15H,2-13H2,1H3
InChIKeyVPAYHULQAFSFOH-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.07
Rot. Bonds4

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

3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118744821) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118744821
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C16H29NO3/c1-2-19-15-11-16(20-13-15)5-7-17(8-6-16)12-14-3-9-18-10-4-14/h14-15H,2-13H2,1H3
InChIKeyVPAYHULQAFSFOH-UHFFFAOYSA-N
XLogP2.07
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 10330390
8-(Cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
CID 118744819
3-Methoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 118744830
8-(Cyclopropylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118744832
1',7-dimethylspiro[3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]dioxine-5,4'-piperidine]
CID 44286873
3-Methoxy-8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 15009349
8-Tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 126502691
CID 178978869
CID 178978869
(8-Methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) hypoiodite
CID 178978893
(3R)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
CID 97371478
(3S)-8-(cyclopropylmethyl)-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
CID 97371479
(3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371480

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 118744821) is 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(CC3CCOCC3)CC2)C1.
What is the InChIKey of 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VPAYHULQAFSFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-19-15-11-16(20-13-15)5-7-17(8-6-16)12-14-3-9-18-10-4-14/h14-15H,2-13H2,1H3.
What are the key properties of 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 283.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118744821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).