acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one

C17H20O — CID 143642315

IUPACacetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one
SMILESC#C.C/C=C\C(=C/C)CC(=O)Cc1ccccc1
InChIInChI=1S/C15H18O.C2H2/c1-3-8-13(4-2)11-15(16)12-14-9-6-5-7-10-14;1-2/h3-10H,11-12H2,1-2H3;1-2H/b8-3-,13-4+;
InChIKeyDSDANQDJYJRSAB-XMOGJWJBSA-N
MW240.35 g/mol
LogP3.96
Rot. Bonds5

About acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one

acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one (PubChem CID 143642315) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one.

Molecular Properties

Compound Nameacetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one
PubChem CID143642315
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Nameacetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one
SMILESC#C.C/C=C\C(=C/C)CC(=O)Cc1ccccc1
InChIInChI=1S/C15H18O.C2H2/c1-3-8-13(4-2)11-15(16)12-14-9-6-5-7-10-14;1-2/h3-10H,11-12H2,1-2H3;1-2H/b8-3-,13-4+;
InChIKeyDSDANQDJYJRSAB-XMOGJWJBSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
1-phenylhex-4-en-2-one
CID 72746081
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-phenyl-N-[(Z)-prop-1-enyl]acetamide
CID 124527116
4-methoxy-1-phenylpent-4-en-2-one
CID 143549548
(E)-1-phenylbut-2-en-2-ol
CID 170790149
N-[(E)-1-phenylbut-2-en-2-yl]acetamide
CID 174681056
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
5-methyl-1,4-diphenylhex-4-en-2-one
CID 102590808
(E)-but-2-enoic acid;N-methyl-1-phenylmethanamine
CID 171506749
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
N,N-dibenzylbut-2-enamide
CID 71340814

Frequently Asked Questions

What is the IUPAC name of acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one?
The IUPAC name of acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one (CID 143642315) is acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one.
What is the SMILES notation for acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one?
The canonical SMILES for acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one is C#C.C/C=C\C(=C/C)CC(=O)Cc1ccccc1.
What is the InChIKey of acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one?
The InChIKey is DSDANQDJYJRSAB-XMOGJWJBSA-N. The full InChI is InChI=1S/C15H18O.C2H2/c1-3-8-13(4-2)11-15(16)12-14-9-6-5-7-10-14;1-2/h3-10H,11-12H2,1-2H3;1-2H/b8-3-,13-4+;.
What are the key properties of acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one?
acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one has a molecular weight of 240.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z,4Z)-4-ethylidene-1-phenylhept-5-en-2-one is sourced from PubChem (CID 143642315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).