2-methyl-2-morpholin-4-ylhept-6-en-3-ol

C12H23NO2 — CID 79045740

IUPAC2-methyl-2-morpholin-4-ylhept-6-en-3-ol
SMILESC=CCCC(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-5-6-11(14)12(2,3)13-7-9-15-10-8-13/h4,11,14H,1,5-10H2,2-3H3
InChIKeyBIWARIPILAXKAE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.42
Rot. Bonds5

About 2-methyl-2-morpholin-4-ylhept-6-en-3-ol

2-methyl-2-morpholin-4-ylhept-6-en-3-ol (PubChem CID 79045740) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylhept-6-en-3-ol.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylhept-6-en-3-ol
PubChem CID79045740
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-2-morpholin-4-ylhept-6-en-3-ol
SMILESC=CCCC(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-5-6-11(14)12(2,3)13-7-9-15-10-8-13/h4,11,14H,1,5-10H2,2-3H3
InChIKeyBIWARIPILAXKAE-UHFFFAOYSA-N
XLogP1.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.42
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-2-morpholin-4-ylhept-6-en-3-ol?
The IUPAC name of 2-methyl-2-morpholin-4-ylhept-6-en-3-ol (CID 79045740) is 2-methyl-2-morpholin-4-ylhept-6-en-3-ol.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylhept-6-en-3-ol?
The canonical SMILES for 2-methyl-2-morpholin-4-ylhept-6-en-3-ol is C=CCCC(O)C(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylhept-6-en-3-ol?
The InChIKey is BIWARIPILAXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-6-11(14)12(2,3)13-7-9-15-10-8-13/h4,11,14H,1,5-10H2,2-3H3.
What are the key properties of 2-methyl-2-morpholin-4-ylhept-6-en-3-ol?
2-methyl-2-morpholin-4-ylhept-6-en-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylhept-6-en-3-ol is sourced from PubChem (CID 79045740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).