4-(1,3-dioxan-5-ylmethyl)morpholine

C9H17NO3 — CID 166659351

IUPAC4-(1,3-dioxan-5-ylmethyl)morpholine
SMILESC1CN(CC2COCOC2)CCO1
InChIInChI=1S/C9H17NO3/c1-3-11-4-2-10(1)5-9-6-12-8-13-7-9/h9H,1-8H2
InChIKeyXGHMUIIRWWOGJK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.06
Rot. Bonds2

About 4-(1,3-dioxan-5-ylmethyl)morpholine

4-(1,3-dioxan-5-ylmethyl)morpholine (PubChem CID 166659351) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(1,3-dioxan-5-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1,3-dioxan-5-ylmethyl)morpholine
PubChem CID166659351
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(1,3-dioxan-5-ylmethyl)morpholine
SMILESC1CN(CC2COCOC2)CCO1
InChIInChI=1S/C9H17NO3/c1-3-11-4-2-10(1)5-9-6-12-8-13-7-9/h9H,1-8H2
InChIKeyXGHMUIIRWWOGJK-UHFFFAOYSA-N
XLogP-0.06
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxan-5-ylmethyl)morpholine?
The IUPAC name of 4-(1,3-dioxan-5-ylmethyl)morpholine (CID 166659351) is 4-(1,3-dioxan-5-ylmethyl)morpholine.
What is the SMILES notation for 4-(1,3-dioxan-5-ylmethyl)morpholine?
The canonical SMILES for 4-(1,3-dioxan-5-ylmethyl)morpholine is C1CN(CC2COCOC2)CCO1.
What is the InChIKey of 4-(1,3-dioxan-5-ylmethyl)morpholine?
The InChIKey is XGHMUIIRWWOGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-11-4-2-10(1)5-9-6-12-8-13-7-9/h9H,1-8H2.
What are the key properties of 4-(1,3-dioxan-5-ylmethyl)morpholine?
4-(1,3-dioxan-5-ylmethyl)morpholine has a molecular weight of 187.24 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxan-5-ylmethyl)morpholine is sourced from PubChem (CID 166659351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).