ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene

C20H26 — CID 145472806

IUPACethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene
SMILESC=C/C(C)=C\C(C#CCCc1ccccc1)=C/C.CC
InChIInChI=1S/C18H20.C2H6/c1-4-16(3)15-17(5-2)11-9-10-14-18-12-7-6-8-13-18;1-2/h4-8,12-13,15H,1,10,14H2,2-3H3;1-2H3/b16-15-,17-5-;
InChIKeyZFZLRROUETZXDI-ZONSEYTPSA-N
MW266.43 g/mol
LogP5.73
Rot. Bonds4

About ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene

ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene (PubChem CID 145472806) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene.

Molecular Properties

Compound Nameethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene
PubChem CID145472806
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Nameethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene
SMILESC=C/C(C)=C\C(C#CCCc1ccccc1)=C/C.CC
InChIInChI=1S/C18H20.C2H6/c1-4-16(3)15-17(5-2)11-9-10-14-18-12-7-6-8-13-18;1-2/h4-8,12-13,15H,1,10,14H2,2-3H3;1-2H3/b16-15-,17-5-;
InChIKeyZFZLRROUETZXDI-ZONSEYTPSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine
CID 145472908
(4E,5Z)-4-ethylidene-N,6-dimethyl-N-[(2R)-1-phenylpropan-2-yl]octa-5,7-dien-2-yn-1-amine
CID 145472991
(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
CID 154721237
CID 145472902
CID 145472902
6-methylhept-5-en-3-ynylbenzene
CID 102338437
[(5S)-9-phenylnon-1-en-6-yn-5-yl] acetate
CID 44552479
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine
CID 144654659
4-phenylbutan-2-one;prop-1-ene
CID 166128425
(5R)-11-phenylundec-1-en-6,8-diyn-5-ol
CID 54672664
7-phenylhepta-2,4-diyn-1-ol
CID 88731246
5-phenylpent-2-yn-1-amine
CID 53412251

Frequently Asked Questions

What is the IUPAC name of ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene?
The IUPAC name of ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene (CID 145472806) is ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene.
What is the SMILES notation for ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene?
The canonical SMILES for ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene is C=C/C(C)=C\C(C#CCCc1ccccc1)=C/C.CC.
What is the InChIKey of ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene?
The InChIKey is ZFZLRROUETZXDI-ZONSEYTPSA-N. The full InChI is InChI=1S/C18H20.C2H6/c1-4-16(3)15-17(5-2)11-9-10-14-18-12-7-6-8-13-18;1-2/h4-8,12-13,15H,1,10,14H2,2-3H3;1-2H3/b16-15-,17-5-;.
What are the key properties of ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene?
ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene has a molecular weight of 266.43 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene is sourced from PubChem (CID 145472806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).