(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane

C21H40 — CID 143435251

IUPAC(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane
SMILESC.C.C=C/C=C(C=C)/C(C=C)=C(/C=C)CC.CC.CCC
InChIInChI=1S/C14H18.C3H8.C2H6.2CH4/c1-6-11-13(9-4)14(10-5)12(7-2)8-3;1-3-2;1-2;;/h6-7,9-11H,1-2,4-5,8H2,3H3;3H2,1-2H3;1-2H3;2*1H4/b13-11+,14-12-;;;;
InChIKeyPNLFIXNXJAZBEM-ASBHDHDDSA-N
MW292.55 g/mol
LogP8.08
Rot. Bonds6

About (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane

(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane (PubChem CID 143435251) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane.

Molecular Properties

Compound Name(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane
PubChem CID143435251
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane
SMILESC.C.C=C/C=C(C=C)/C(C=C)=C(/C=C)CC.CC.CCC
InChIInChI=1S/C14H18.C3H8.C2H6.2CH4/c1-6-11-13(9-4)14(10-5)12(7-2)8-3;1-3-2;1-2;;/h6-7,9-11H,1-2,4-5,8H2,3H3;3H2,1-2H3;1-2H3;2*1H4/b13-11+,14-12-;;;;
InChIKeyPNLFIXNXJAZBEM-ASBHDHDDSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 58.08
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

(3E)-3-ethyl-4-methylhexa-1,3-diene;methane;propane
CID 143938090
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3E)-3-ethyl-4-iodopenta-1,3-diene
CID 88557355
(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
CID 162432866
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
CID 144667400
(3Z,6Z)-4-ethenyl-5-methylidenenona-1,3,6-triene
CID 142571328
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane?
The IUPAC name of (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane (CID 143435251) is (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane.
What is the SMILES notation for (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane?
The canonical SMILES for (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane is C.C.C=C/C=C(C=C)/C(C=C)=C(/C=C)CC.CC.CCC.
What is the InChIKey of (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane?
The InChIKey is PNLFIXNXJAZBEM-ASBHDHDDSA-N. The full InChI is InChI=1S/C14H18.C3H8.C2H6.2CH4/c1-6-11-13(9-4)14(10-5)12(7-2)8-3;1-3-2;1-2;;/h6-7,9-11H,1-2,4-5,8H2,3H3;3H2,1-2H3;1-2H3;2*1H4/b13-11+,14-12-;;;;.
What are the key properties of (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane?
(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane has a molecular weight of 292.55 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane is sourced from PubChem (CID 143435251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).