2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol

C13H25NO2 — CID 79052564

IUPAC2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol
SMILESC=C(CC)CC(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-5-11(2)10-12(15)13(3,4)14-6-8-16-9-7-14/h12,15H,2,5-10H2,1,3-4H3
InChIKeyBTXDAUUUDLVXBV-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol

2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol (PubChem CID 79052564) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol.

Molecular Properties

Compound Name2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol
PubChem CID79052564
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol
SMILESC=C(CC)CC(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-5-11(2)10-12(15)13(3,4)14-6-8-16-9-7-14/h12,15H,2,5-10H2,1,3-4H3
InChIKeyBTXDAUUUDLVXBV-UHFFFAOYSA-N
XLogP1.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol?
The IUPAC name of 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol (CID 79052564) is 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol.
What is the SMILES notation for 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol?
The canonical SMILES for 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol is C=C(CC)CC(O)C(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol?
The InChIKey is BTXDAUUUDLVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-11(2)10-12(15)13(3,4)14-6-8-16-9-7-14/h12,15H,2,5-10H2,1,3-4H3.
What are the key properties of 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol?
2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-2-morpholin-4-ylheptan-3-ol is sourced from PubChem (CID 79052564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).