[(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate

C18H25NO2 — CID 71663754

IUPAC[(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate
SMILESCC[C@H](/C=C(\C)CCC=C(C)C)OC(=O)c1ccccn1
InChIInChI=1S/C18H25NO2/c1-5-16(13-15(4)10-8-9-14(2)3)21-18(20)17-11-6-7-12-19-17/h6-7,9,11-13,16H,5,8,10H2,1-4H3/b15-13+/t16-/m1/s1
InChIKeyMTRTWLOAGSEJHQ-QJPKHSJYSA-N
MW287.40 g/mol
LogP4.71
Rot. Bonds7

About [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate

[(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate (PubChem CID 71663754) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate
PubChem CID71663754
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate
SMILESCC[C@H](/C=C(\C)CCC=C(C)C)OC(=O)c1ccccn1
InChIInChI=1S/C18H25NO2/c1-5-16(13-15(4)10-8-9-14(2)3)21-18(20)17-11-6-7-12-19-17/h6-7,9,11-13,16H,5,8,10H2,1-4H3/b15-13+/t16-/m1/s1
InChIKeyMTRTWLOAGSEJHQ-QJPKHSJYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate with MolForge

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Related Compounds

[(3E)-4,8-dimethyl-1-phenylsulfanylnona-3,7-dien-2-yl] acetate
CID 11758966
1-aminobutyl pyridine-2-carboxylate
CID 174954272
1-aminoethyl pyridine-2-carboxylate
CID 141264689
(2-methyl-1-phenylpropyl) pyridine-2-carboxylate
CID 100987020
3-[(2E)-3,7-dimethylocta-2,6-dienyl]azepin-2-one
CID 141073448
3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid
CID 151186182
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
CID 70359002
(3,7-dimethyl-1-sulfanylocta-2,6-dienyl) acetate
CID 57137605
2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate
CID 91575554
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide
CID 15434237

Frequently Asked Questions

What is the IUPAC name of [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate?
The IUPAC name of [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate (CID 71663754) is [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate?
The canonical SMILES for [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate is CC[C@H](/C=C(\C)CCC=C(C)C)OC(=O)c1ccccn1.
What is the InChIKey of [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate?
The InChIKey is MTRTWLOAGSEJHQ-QJPKHSJYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-16(13-15(4)10-8-9-14(2)3)21-18(20)17-11-6-7-12-19-17/h6-7,9,11-13,16H,5,8,10H2,1-4H3/b15-13+/t16-/m1/s1.
What are the key properties of [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate?
[(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate is sourced from PubChem (CID 71663754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).