bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene

C22H38 — CID 166119091

IUPACbis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene
SMILESC=CCC.C=CCC.CC=C/C=C\C=C(C)\C(=C/C)CCC
InChIInChI=1S/C14H22.2C4H8/c1-5-8-9-10-12-13(4)14(7-3)11-6-2;2*1-3-4-2/h5,7-10,12H,6,11H2,1-4H3;2*3H,1,4H2,2H3/b8-5?,10-9-,13-12+,14-7-;;
InChIKeyWRKDJRBRZZSVOE-PMRHQNNLSA-N
MW302.55 g/mol
LogP7.98
Rot. Bonds7

About bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene

bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene (PubChem CID 166119091) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene.

Molecular Properties

Compound Namebis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene
PubChem CID166119091
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Namebis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene
SMILESC=CCC.C=CCC.CC=C/C=C\C=C(C)\C(=C/C)CCC
InChIInChI=1S/C14H22.2C4H8/c1-5-8-9-10-12-13(4)14(7-3)11-6-2;2*1-3-4-2/h5,7-10,12H,6,11H2,1-4H3;2*3H,1,4H2,2H3/b8-5?,10-9-,13-12+,14-7-;;
InChIKeyWRKDJRBRZZSVOE-PMRHQNNLSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 143524978
(2Z,4Z)-5-methyl-6-methylidenedodeca-2,4-diene
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(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
CID 143486696
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol
CID 157029052
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
2-methyldeca-2,4,6,8-tetraene
CID 123313204
but-1-ene;(Z)-pent-2-ene
CID 156866422
(Z,5Z)-5-ethylidene-4-methylideneoct-2-ene
CID 166467413
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519

Frequently Asked Questions

What is the IUPAC name of bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene?
The IUPAC name of bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene (CID 166119091) is bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene.
What is the SMILES notation for bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene?
The canonical SMILES for bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene is C=CCC.C=CCC.CC=C/C=C\C=C(C)\C(=C/C)CCC.
What is the InChIKey of bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene?
The InChIKey is WRKDJRBRZZSVOE-PMRHQNNLSA-N. The full InChI is InChI=1S/C14H22.2C4H8/c1-5-8-9-10-12-13(4)14(7-3)11-6-2;2*1-3-4-2/h5,7-10,12H,6,11H2,1-4H3;2*3H,1,4H2,2H3/b8-5?,10-9-,13-12+,14-7-;;.
What are the key properties of bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene?
bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene has a molecular weight of 302.55 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene is sourced from PubChem (CID 166119091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).