2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine

C16H22ClN — CID 143246261

IUPAC2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine
SMILESC=CC(Cl)C/C(C)=C/C(C)c1ncccc1CC
InChIInChI=1S/C16H22ClN/c1-5-14-8-7-9-18-16(14)13(4)10-12(3)11-15(17)6-2/h6-10,13,15H,2,5,11H2,1,3-4H3/b12-10+
InChIKeyRLYIQUIOKWUMOH-ZRDIBKRKSA-N
MW263.81 g/mol
LogP4.88
Rot. Bonds6

About 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine

2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine (PubChem CID 143246261) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine.

Molecular Properties

Compound Name2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine
PubChem CID143246261
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine
SMILESC=CC(Cl)C/C(C)=C/C(C)c1ncccc1CC
InChIInChI=1S/C16H22ClN/c1-5-14-8-7-9-18-16(14)13(4)10-12(3)11-15(17)6-2/h6-10,13,15H,2,5,11H2,1,3-4H3/b12-10+
InChIKeyRLYIQUIOKWUMOH-ZRDIBKRKSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine?
The IUPAC name of 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine (CID 143246261) is 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine.
What is the SMILES notation for 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine?
The canonical SMILES for 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine is C=CC(Cl)C/C(C)=C/C(C)c1ncccc1CC.
What is the InChIKey of 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine?
The InChIKey is RLYIQUIOKWUMOH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H22ClN/c1-5-14-8-7-9-18-16(14)13(4)10-12(3)11-15(17)6-2/h6-10,13,15H,2,5,11H2,1,3-4H3/b12-10+.
What are the key properties of 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine?
2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine has a molecular weight of 263.81 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine is sourced from PubChem (CID 143246261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).