3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine

C38H59NO2 — CID 16658559

IUPAC3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine
SMILESCCCCCCCC/C=C\c1c(C)nc(CCCOCc2ccc(OC)cc2)c(/C=C\CCCCCCCC)c1C
InChIInChI=1S/C38H59NO2/c1-6-8-10-12-14-16-18-20-23-36-32(3)37(24-21-19-17-15-13-11-9-7-2)38(39-33(36)4)25-22-30-41-31-34-26-28-35(40-5)29-27-34/h20-21,23-24,26-29H,6-19,22,25,30-31H2,1-5H3/b23-20-,24-21-
InChIKeyJNYBCSSMGGLIST-XFUYORNGSA-N
MW561.90 g/mol
LogP11.38
Rot. Bonds23

About 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine

3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine (PubChem CID 16658559) has the molecular formula C38H59NO2 and a molecular weight of 561.90 g/mol. Its IUPAC name is 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine.

Molecular Properties

Compound Name3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine
PubChem CID16658559
Molecular FormulaC38H59NO2
Molecular Weight561.90 g/mol
Exact Mass561.45
IUPAC Name3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine
SMILESCCCCCCCC/C=C\c1c(C)nc(CCCOCc2ccc(OC)cc2)c(/C=C\CCCCCCCC)c1C
InChIInChI=1S/C38H59NO2/c1-6-8-10-12-14-16-18-20-23-36-32(3)37(24-21-19-17-15-13-11-9-7-2)38(39-33(36)4)25-22-30-41-31-34-26-28-35(40-5)29-27-34/h20-21,23-24,26-29H,6-19,22,25,30-31H2,1-5H3/b23-20-,24-21-
InChIKeyJNYBCSSMGGLIST-XFUYORNGSA-N
XLogP11.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.90
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
CID 54753039
3-[5-[(Z)-dec-1-enyl]-3-[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
CID 54753193
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
CID 88540925
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
undec-4-enoxymethylbenzene
CID 158781580
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine?
The IUPAC name of 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine (CID 16658559) is 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine.
What is the SMILES notation for 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine?
The canonical SMILES for 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine is CCCCCCCC/C=C\c1c(C)nc(CCCOCc2ccc(OC)cc2)c(/C=C\CCCCCCCC)c1C.
What is the InChIKey of 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine?
The InChIKey is JNYBCSSMGGLIST-XFUYORNGSA-N. The full InChI is InChI=1S/C38H59NO2/c1-6-8-10-12-14-16-18-20-23-36-32(3)37(24-21-19-17-15-13-11-9-7-2)38(39-33(36)4)25-22-30-41-31-34-26-28-35(40-5)29-27-34/h20-21,23-24,26-29H,6-19,22,25,30-31H2,1-5H3/b23-20-,24-21-.
What are the key properties of 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine?
3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine has a molecular weight of 561.90 g/mol, XLogP of 11.38, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine is sourced from PubChem (CID 16658559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).