2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol

C12H23NO2 — CID 79178472

IUPAC2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-11(14)12(3,4)13-5-7-15-8-6-13/h11,14H,1,5-9H2,2-4H3
InChIKeyTUOFGZUTFNUWQB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.42
Rot. Bonds4

About 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol

2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol (PubChem CID 79178472) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol
PubChem CID79178472
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-11(14)12(3,4)13-5-7-15-8-6-13/h11,14H,1,5-9H2,2-4H3
InChIKeyTUOFGZUTFNUWQB-UHFFFAOYSA-N
XLogP1.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol?
The IUPAC name of 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol (CID 79178472) is 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol.
What is the SMILES notation for 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol?
The canonical SMILES for 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol is C=C(C)CC(O)C(C)(C)N1CCOCC1.
What is the InChIKey of 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol?
The InChIKey is TUOFGZUTFNUWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)9-11(14)12(3,4)13-5-7-15-8-6-13/h11,14H,1,5-9H2,2-4H3.
What are the key properties of 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol?
2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-morpholin-4-ylhex-5-en-3-ol is sourced from PubChem (CID 79178472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).