3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine

C21H35NO — CID 70692897

IUPAC3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine
SMILESCCCCCCCC/C=C\c1c(C)cc(CCCOC)nc1C
InChIInChI=1S/C21H35NO/c1-5-6-7-8-9-10-11-12-15-21-18(2)17-20(22-19(21)3)14-13-16-23-4/h12,15,17H,5-11,13-14,16H2,1-4H3/b15-12-
InChIKeyNVVNWMUZZOSCFN-QINSGFPZSA-N
MW317.52 g/mol
LogP6.04
Rot. Bonds12

About 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine

3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine (PubChem CID 70692897) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine
PubChem CID70692897
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine
SMILESCCCCCCCC/C=C\c1c(C)cc(CCCOC)nc1C
InChIInChI=1S/C21H35NO/c1-5-6-7-8-9-10-11-12-15-21-18(2)17-20(22-19(21)3)14-13-16-23-4/h12,15,17H,5-11,13-14,16H2,1-4H3/b15-12-
InChIKeyNVVNWMUZZOSCFN-QINSGFPZSA-N
XLogP6.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine?
The IUPAC name of 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine (CID 70692897) is 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine.
What is the SMILES notation for 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine?
The canonical SMILES for 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine is CCCCCCCC/C=C\c1c(C)cc(CCCOC)nc1C.
What is the InChIKey of 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine?
The InChIKey is NVVNWMUZZOSCFN-QINSGFPZSA-N. The full InChI is InChI=1S/C21H35NO/c1-5-6-7-8-9-10-11-12-15-21-18(2)17-20(22-19(21)3)14-13-16-23-4/h12,15,17H,5-11,13-14,16H2,1-4H3/b15-12-.
What are the key properties of 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine?
3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine has a molecular weight of 317.52 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-dec-1-enyl]-6-(3-methoxypropyl)-2,4-dimethylpyridine is sourced from PubChem (CID 70692897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).