3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol

C14H25NO2 — CID 54272275

IUPAC3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol
SMILESCC(=CCO)CCC=C(C)CN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-13(6-9-16)4-3-5-14(2)12-15-7-10-17-11-8-15/h5-6,16H,3-4,7-12H2,1-2H3
InChIKeyRKZIHYPNQXNGKP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.98
Rot. Bonds6

About 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol

3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol (PubChem CID 54272275) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol
PubChem CID54272275
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol
SMILESCC(=CCO)CCC=C(C)CN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-13(6-9-16)4-3-5-14(2)12-15-7-10-17-11-8-15/h5-6,16H,3-4,7-12H2,1-2H3
InChIKeyRKZIHYPNQXNGKP-UHFFFAOYSA-N
XLogP1.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.98
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 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol?
The IUPAC name of 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol (CID 54272275) is 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol.
What is the SMILES notation for 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol?
The canonical SMILES for 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol is CC(=CCO)CCC=C(C)CN1CCOCC1.
What is the InChIKey of 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol?
The InChIKey is RKZIHYPNQXNGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(6-9-16)4-3-5-14(2)12-15-7-10-17-11-8-15/h5-6,16H,3-4,7-12H2,1-2H3.
What are the key properties of 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol?
3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol is sourced from PubChem (CID 54272275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).