[(Z)-1-methoxydec-2-en-4-ynyl]benzene

C17H22O — CID 101124945

IUPAC[(Z)-1-methoxydec-2-en-4-ynyl]benzene
SMILESCCCCCC#C/C=C\C(OC)c1ccccc1
InChIInChI=1S/C17H22O/c1-3-4-5-6-7-8-12-15-17(18-2)16-13-10-9-11-14-16/h9-15,17H,3-6H2,1-2H3/b15-12-
InChIKeyBIXHQBIFKJIAFJ-QINSGFPZSA-N
MW242.36 g/mol
LogP4.51
Rot. Bonds6

About [(Z)-1-methoxydec-2-en-4-ynyl]benzene

[(Z)-1-methoxydec-2-en-4-ynyl]benzene (PubChem CID 101124945) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is [(Z)-1-methoxydec-2-en-4-ynyl]benzene.

Molecular Properties

Compound Name[(Z)-1-methoxydec-2-en-4-ynyl]benzene
PubChem CID101124945
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name[(Z)-1-methoxydec-2-en-4-ynyl]benzene
SMILESCCCCCC#C/C=C\C(OC)c1ccccc1
InChIInChI=1S/C17H22O/c1-3-4-5-6-7-8-12-15-17(18-2)16-13-10-9-11-14-16/h9-15,17H,3-6H2,1-2H3/b15-12-
InChIKeyBIXHQBIFKJIAFJ-QINSGFPZSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol
CID 51031562
[(E)-dodec-1-en-3-ynyl]benzene
CID 101385247
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
(E)-1-phenyldec-2-en-4-yn-1-one
CID 45112533
1,3-dimethoxypentadec-8-ynylbenzene
CID 90962024
1-methoxyoct-2-ynylsulfanylbenzene
CID 10800593
[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
CID 164672506
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
tridec-1-ynylbenzene
CID 19991064
methyl 1-phenyloct-2-ynyl carbonate
CID 11054408
ethane;non-1-ynylbenzene
CID 143616673
dec-2-en-4-yne
CID 54142868

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-methoxydec-2-en-4-ynyl]benzene?
The IUPAC name of [(Z)-1-methoxydec-2-en-4-ynyl]benzene (CID 101124945) is [(Z)-1-methoxydec-2-en-4-ynyl]benzene.
What is the SMILES notation for [(Z)-1-methoxydec-2-en-4-ynyl]benzene?
The canonical SMILES for [(Z)-1-methoxydec-2-en-4-ynyl]benzene is CCCCCC#C/C=C\C(OC)c1ccccc1.
What is the InChIKey of [(Z)-1-methoxydec-2-en-4-ynyl]benzene?
The InChIKey is BIXHQBIFKJIAFJ-QINSGFPZSA-N. The full InChI is InChI=1S/C17H22O/c1-3-4-5-6-7-8-12-15-17(18-2)16-13-10-9-11-14-16/h9-15,17H,3-6H2,1-2H3/b15-12-.
What are the key properties of [(Z)-1-methoxydec-2-en-4-ynyl]benzene?
[(Z)-1-methoxydec-2-en-4-ynyl]benzene has a molecular weight of 242.36 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-methoxydec-2-en-4-ynyl]benzene is sourced from PubChem (CID 101124945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).