ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene

C19H32 — CID 144893157

IUPACethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene
SMILESC.C=C(CC=C/C=C\C)c1ccccc1.CC.CC
InChIInChI=1S/C14H16.2C2H6.CH4/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14;2*1-2;/h3-9,11-12H,2,10H2,1H3;2*1-2H3;1H4/b4-3-,7-5?;;;
InChIKeyWXPUHNLIKQGEQX-YSJZLJDKSA-N
MW260.46 g/mol
LogP6.91
Rot. Bonds4

About ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene

ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene (PubChem CID 144893157) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene.

Molecular Properties

Compound Nameethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene
PubChem CID144893157
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Nameethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene
SMILESC.C=C(CC=C/C=C\C)c1ccccc1.CC.CC
InChIInChI=1S/C14H16.2C2H6.CH4/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14;2*1-2;/h3-9,11-12H,2,10H2,1H3;2*1-2H3;1H4/b4-3-,7-5?;;;
InChIKeyWXPUHNLIKQGEQX-YSJZLJDKSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(5E,7E,9E,11E)-2-phenyltrideca-1,5,7,9,11-pentaen-4-yl]benzene
CID 140938349
(NE)-N-(3-phenylbut-3-enylidene)hydroxylamine
CID 134894626
(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol
CID 145321290
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
acetylene;1-but-1-en-2-yl-3-methylbenzene;(4E,7Z,9Z)-2,5-dimethylundeca-2,4,7,9-tetraene;ethane
CID 142803515
N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine
CID 144631857
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
pent-1-en-2-ylbenzene
CID 521761
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817

Frequently Asked Questions

What is the IUPAC name of ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene?
The IUPAC name of ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene (CID 144893157) is ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene.
What is the SMILES notation for ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene?
The canonical SMILES for ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene is C.C=C(CC=C/C=C\C)c1ccccc1.CC.CC.
What is the InChIKey of ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene?
The InChIKey is WXPUHNLIKQGEQX-YSJZLJDKSA-N. The full InChI is InChI=1S/C14H16.2C2H6.CH4/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14;2*1-2;/h3-9,11-12H,2,10H2,1H3;2*1-2H3;1H4/b4-3-,7-5?;;;.
What are the key properties of ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene?
ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene has a molecular weight of 260.46 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene is sourced from PubChem (CID 144893157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).