(Z)-11-phenylundec-8-en-10-yn-2-one

C17H20O — CID 25186776

IUPAC(Z)-11-phenylundec-8-en-10-yn-2-one
SMILESCC(=O)CCCCC/C=C\C#Cc1ccccc1
InChIInChI=1S/C17H20O/c1-16(18)12-8-5-3-2-4-6-9-13-17-14-10-7-11-15-17/h4,6-7,10-11,14-15H,2-3,5,8,12H2,1H3/b6-4-
InChIKeyZZAQKSSDCLXTRE-XQRVVYSFSA-N
MW240.35 g/mol
LogP4.13
Rot. Bonds6

About (Z)-11-phenylundec-8-en-10-yn-2-one

(Z)-11-phenylundec-8-en-10-yn-2-one (PubChem CID 25186776) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (Z)-11-phenylundec-8-en-10-yn-2-one.

Molecular Properties

Compound Name(Z)-11-phenylundec-8-en-10-yn-2-one
PubChem CID25186776
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(Z)-11-phenylundec-8-en-10-yn-2-one
SMILESCC(=O)CCCCC/C=C\C#Cc1ccccc1
InChIInChI=1S/C17H20O/c1-16(18)12-8-5-3-2-4-6-9-13-17-14-10-7-11-15-17/h4,6-7,10-11,14-15H,2-3,5,8,12H2,1H3/b6-4-
InChIKeyZZAQKSSDCLXTRE-XQRVVYSFSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.13
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

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[(E)-6-bromohex-3-en-1-ynyl]benzene
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12-(furan-2-yl)dodec-9-en-11-ynoic acid
CID 123610734
7-phenylhept-6-en-2-one
CID 582607
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CID 11356347
(E)-6,8-diphenyloct-5-en-7-yn-2-one
CID 14925232
(7Z,13E,15Z)-16-chlorohexadeca-7,13,15-trien-9,11-diyn-2-one
CID 23252098
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
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(E)-N-methyl-5-phenylpent-2-en-4-ynamide
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Frequently Asked Questions

What is the IUPAC name of (Z)-11-phenylundec-8-en-10-yn-2-one?
The IUPAC name of (Z)-11-phenylundec-8-en-10-yn-2-one (CID 25186776) is (Z)-11-phenylundec-8-en-10-yn-2-one.
What is the SMILES notation for (Z)-11-phenylundec-8-en-10-yn-2-one?
The canonical SMILES for (Z)-11-phenylundec-8-en-10-yn-2-one is CC(=O)CCCCC/C=C\C#Cc1ccccc1.
What is the InChIKey of (Z)-11-phenylundec-8-en-10-yn-2-one?
The InChIKey is ZZAQKSSDCLXTRE-XQRVVYSFSA-N. The full InChI is InChI=1S/C17H20O/c1-16(18)12-8-5-3-2-4-6-9-13-17-14-10-7-11-15-17/h4,6-7,10-11,14-15H,2-3,5,8,12H2,1H3/b6-4-.
What are the key properties of (Z)-11-phenylundec-8-en-10-yn-2-one?
(Z)-11-phenylundec-8-en-10-yn-2-one has a molecular weight of 240.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-phenylundec-8-en-10-yn-2-one is sourced from PubChem (CID 25186776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).