1-methyl-3-[(Z)-undec-4-enoxy]benzene

C18H28O — CID 143691460

IUPAC1-methyl-3-[(Z)-undec-4-enoxy]benzene
SMILESCCCCCC/C=C\CCCOc1cccc(C)c1
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-11-15-19-18-14-12-13-17(2)16-18/h8-9,12-14,16H,3-7,10-11,15H2,1-2H3/b9-8-
InChIKeyHSJBHQNNDWBUDC-HJWRWDBZSA-N
MW260.42 g/mol
LogP5.68
Rot. Bonds10

About 1-methyl-3-[(Z)-undec-4-enoxy]benzene

1-methyl-3-[(Z)-undec-4-enoxy]benzene (PubChem CID 143691460) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-undec-4-enoxy]benzene.

Molecular Properties

Compound Name1-methyl-3-[(Z)-undec-4-enoxy]benzene
PubChem CID143691460
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-methyl-3-[(Z)-undec-4-enoxy]benzene
SMILESCCCCCC/C=C\CCCOc1cccc(C)c1
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-11-15-19-18-14-12-13-17(2)16-18/h8-9,12-14,16H,3-7,10-11,15H2,1-2H3/b9-8-
InChIKeyHSJBHQNNDWBUDC-HJWRWDBZSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70492452
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-undec-4-enoxy]benzene?
The IUPAC name of 1-methyl-3-[(Z)-undec-4-enoxy]benzene (CID 143691460) is 1-methyl-3-[(Z)-undec-4-enoxy]benzene.
What is the SMILES notation for 1-methyl-3-[(Z)-undec-4-enoxy]benzene?
The canonical SMILES for 1-methyl-3-[(Z)-undec-4-enoxy]benzene is CCCCCC/C=C\CCCOc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-[(Z)-undec-4-enoxy]benzene?
The InChIKey is HSJBHQNNDWBUDC-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-11-15-19-18-14-12-13-17(2)16-18/h8-9,12-14,16H,3-7,10-11,15H2,1-2H3/b9-8-.
What are the key properties of 1-methyl-3-[(Z)-undec-4-enoxy]benzene?
1-methyl-3-[(Z)-undec-4-enoxy]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-undec-4-enoxy]benzene is sourced from PubChem (CID 143691460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).