5-morpholin-4-ylpentane-1,4-diol

C9H19NO3 — CID 54516512

IUPAC5-morpholin-4-ylpentane-1,4-diol
SMILESOCCCC(O)CN1CCOCC1
InChIInChI=1S/C9H19NO3/c11-5-1-2-9(12)8-10-3-6-13-7-4-10/h9,11-12H,1-8H2
InChIKeyDGUDYYVLRAUHIP-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.55
Rot. Bonds5

About 5-morpholin-4-ylpentane-1,4-diol

5-morpholin-4-ylpentane-1,4-diol (PubChem CID 54516512) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 5-morpholin-4-ylpentane-1,4-diol.

Molecular Properties

Compound Name5-morpholin-4-ylpentane-1,4-diol
PubChem CID54516512
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name5-morpholin-4-ylpentane-1,4-diol
SMILESOCCCC(O)CN1CCOCC1
InChIInChI=1S/C9H19NO3/c11-5-1-2-9(12)8-10-3-6-13-7-4-10/h9,11-12H,1-8H2
InChIKeyDGUDYYVLRAUHIP-UHFFFAOYSA-N
XLogP-0.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylpentane-1,4-diol?
The IUPAC name of 5-morpholin-4-ylpentane-1,4-diol (CID 54516512) is 5-morpholin-4-ylpentane-1,4-diol.
What is the SMILES notation for 5-morpholin-4-ylpentane-1,4-diol?
The canonical SMILES for 5-morpholin-4-ylpentane-1,4-diol is OCCCC(O)CN1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylpentane-1,4-diol?
The InChIKey is DGUDYYVLRAUHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c11-5-1-2-9(12)8-10-3-6-13-7-4-10/h9,11-12H,1-8H2.
What are the key properties of 5-morpholin-4-ylpentane-1,4-diol?
5-morpholin-4-ylpentane-1,4-diol has a molecular weight of 189.25 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylpentane-1,4-diol is sourced from PubChem (CID 54516512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).