methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate

C16H27NO4 — CID 102848128

IUPACmethyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H27NO4/c1-19-15(18)14-12-20-10-9-17(14)11-13-5-8-16(21-13)6-3-2-4-7-16/h13-14H,2-12H2,1H3
InChIKeyUTIMQHXXOQABCH-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.74
Rot. Bonds3

About methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate

methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate (PubChem CID 102848128) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate
PubChem CID102848128
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Namemethyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H27NO4/c1-19-15(18)14-12-20-10-9-17(14)11-13-5-8-16(21-13)6-3-2-4-7-16/h13-14H,2-12H2,1H3
InChIKeyUTIMQHXXOQABCH-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate (CID 102848128) is methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate is COC(=O)C1COCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate?
The InChIKey is UTIMQHXXOQABCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-19-15(18)14-12-20-10-9-17(14)11-13-5-8-16(21-13)6-3-2-4-7-16/h13-14H,2-12H2,1H3.
What are the key properties of methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate?
methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate is sourced from PubChem (CID 102848128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).