7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol

C21H43NO4 — CID 170735823

IUPAC7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol
SMILESOCCCCCCC(O)(CCCCCCO)CCCCN1CCOCC1
InChIInChI=1S/C21H43NO4/c23-17-9-3-1-5-11-21(25,12-6-2-4-10-18-24)13-7-8-14-22-15-19-26-20-16-22/h23-25H,1-20H2
InChIKeyICVDVFDQGVGNEL-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.11
Rot. Bonds17

About 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol

7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol (PubChem CID 170735823) has the molecular formula C21H43NO4 and a molecular weight of 373.58 g/mol. Its IUPAC name is 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol.

Molecular Properties

Compound Name7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol
PubChem CID170735823
Molecular FormulaC21H43NO4
Molecular Weight373.58 g/mol
Exact Mass373.32
IUPAC Name7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol
SMILESOCCCCCCC(O)(CCCCCCO)CCCCN1CCOCC1
InChIInChI=1S/C21H43NO4/c23-17-9-3-1-5-11-21(25,12-6-2-4-10-18-24)13-7-8-14-22-15-19-26-20-16-22/h23-25H,1-20H2
InChIKeyICVDVFDQGVGNEL-UHFFFAOYSA-N
XLogP3.11
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol?
The IUPAC name of 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol (CID 170735823) is 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol.
What is the SMILES notation for 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol?
The canonical SMILES for 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol is OCCCCCCC(O)(CCCCCCO)CCCCN1CCOCC1.
What is the InChIKey of 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol?
The InChIKey is ICVDVFDQGVGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO4/c23-17-9-3-1-5-11-21(25,12-6-2-4-10-18-24)13-7-8-14-22-15-19-26-20-16-22/h23-25H,1-20H2.
What are the key properties of 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol?
7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol has a molecular weight of 373.58 g/mol, XLogP of 3.11, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-morpholin-4-ylbutyl)tridecane-1,7,13-triol is sourced from PubChem (CID 170735823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).