(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

C18H31NO4 — CID 124789276

IUPAC(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESC1CC(COC[C@H]2CCOC23CN(C2CCOCC2)C3)CCO1
InChIInChI=1S/C18H31NO4/c1-6-20-7-2-15(1)11-22-12-16-3-10-23-18(16)13-19(14-18)17-4-8-21-9-5-17/h15-17H,1-14H2/t16-/m1/s1
InChIKeyCTWHIMSUQZDYHX-MRXNPFEDSA-N
MW325.45 g/mol
LogP1.70
Rot. Bonds5

About (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124789276) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124789276
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESC1CC(COC[C@H]2CCOC23CN(C2CCOCC2)C3)CCO1
InChIInChI=1S/C18H31NO4/c1-6-20-7-2-15(1)11-22-12-16-3-10-23-18(16)13-19(14-18)17-4-8-21-9-5-17/h15-17H,1-14H2/t16-/m1/s1
InChIKeyCTWHIMSUQZDYHX-MRXNPFEDSA-N
XLogP1.70
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131658300
2-(cyclohexen-1-yl)-1-[(8S)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124796235
(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124812614
(3-fluoro-4-methylphenyl)-[8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658166
4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 131663423
1-[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649671
(2-methylphenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658402
[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131658029
N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
CID 124819679
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893412
(8S)-2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796778
(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663304

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124789276) is (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is C1CC(COC[C@H]2CCOC23CN(C2CCOCC2)C3)CCO1.
What is the InChIKey of (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is CTWHIMSUQZDYHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31NO4/c1-6-20-7-2-15(1)11-22-12-16-3-10-23-18(16)13-19(14-18)17-4-8-21-9-5-17/h15-17H,1-14H2/t16-/m1/s1.
What are the key properties of (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 325.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124789276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).