2-morpholin-4-yloctane-1,2-diol

C12H25NO3 — CID 70461698

IUPAC2-morpholin-4-yloctane-1,2-diol
SMILESCCCCCCC(O)(CO)N1CCOCC1
InChIInChI=1S/C12H25NO3/c1-2-3-4-5-6-12(15,11-14)13-7-9-16-10-8-13/h14-15H,2-11H2,1H3
InChIKeyPPVNDXOVKKCZGE-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.97
Rot. Bonds7

About 2-morpholin-4-yloctane-1,2-diol

2-morpholin-4-yloctane-1,2-diol (PubChem CID 70461698) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-morpholin-4-yloctane-1,2-diol.

Molecular Properties

Compound Name2-morpholin-4-yloctane-1,2-diol
PubChem CID70461698
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-morpholin-4-yloctane-1,2-diol
SMILESCCCCCCC(O)(CO)N1CCOCC1
InChIInChI=1S/C12H25NO3/c1-2-3-4-5-6-12(15,11-14)13-7-9-16-10-8-13/h14-15H,2-11H2,1H3
InChIKeyPPVNDXOVKKCZGE-UHFFFAOYSA-N
XLogP0.97
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyldodecan-5-yl)morpholine
CID 138551223
4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine
CID 11808124
2-[[16-(2-hydroxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-methylhexadecan-1-ol
CID 122416773
3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
1,4-dioxane;tetradecane
CID 159034856
4-(4-benzyltetradecan-4-yl)morpholine
CID 54485656
2-butyltetradecane-1,2-diol
CID 88924076
7-methyltetradecan-7-yl morpholine-4-carboxylate
CID 139318939
4-hexylmorpholine
CID 3614751
4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride
CID 173231526
3-methyl-3-morpholin-4-ylnonan-4-amine
CID 79065779
2-propyloctane-1,2-diol
CID 88923937

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yloctane-1,2-diol?
The IUPAC name of 2-morpholin-4-yloctane-1,2-diol (CID 70461698) is 2-morpholin-4-yloctane-1,2-diol.
What is the SMILES notation for 2-morpholin-4-yloctane-1,2-diol?
The canonical SMILES for 2-morpholin-4-yloctane-1,2-diol is CCCCCCC(O)(CO)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yloctane-1,2-diol?
The InChIKey is PPVNDXOVKKCZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-2-3-4-5-6-12(15,11-14)13-7-9-16-10-8-13/h14-15H,2-11H2,1H3.
What are the key properties of 2-morpholin-4-yloctane-1,2-diol?
2-morpholin-4-yloctane-1,2-diol has a molecular weight of 231.34 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yloctane-1,2-diol is sourced from PubChem (CID 70461698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).