ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane

C20H49P — CID 143343159

IUPACethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane
SMILESC=C/C(=C/C)CCC.CC.CC.CC.CCC.CCCP
InChIInChI=1S/C8H14.C3H9P.C3H8.3C2H6/c1-4-7-8(5-2)6-3;1-2-3-4;1-3-2;3*1-2/h5-6H,2,4,7H2,1,3H3;2-4H2,1H3;3H2,1-2H3;3*1-2H3/b8-6-;;;;;
InChIKeyOUBJIUWMKXGMNG-NXDPQDIUSA-N
MW320.59 g/mol
LogP8.69
Rot. Bonds4

About ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane

ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane (PubChem CID 143343159) has the molecular formula C20H49P and a molecular weight of 320.59 g/mol. Its IUPAC name is ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane.

Molecular Properties

Compound Nameethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane
PubChem CID143343159
Molecular FormulaC20H49P
Molecular Weight320.59 g/mol
Exact Mass320.36
IUPAC Nameethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane
SMILESC=C/C(=C/C)CCC.CC.CC.CC.CCC.CCCP
InChIInChI=1S/C8H14.C3H9P.C3H8.3C2H6/c1-4-7-8(5-2)6-3;1-2-3-4;1-3-2;3*1-2/h5-6H,2,4,7H2,1,3H3;2-4H2,1H3;3H2,1-2H3;3*1-2H3/b8-6-;;;;;
InChIKeyOUBJIUWMKXGMNG-NXDPQDIUSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 177225786
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CID 142873485
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
5-ethylideneocta-1,3-diene-3-diazonium
CID 123497453
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
butane;ethane;propane;prop-1-ene
CID 143366707
(3E)-3-(chloromethyl)penta-1,3-diene;ethane;prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane?
The IUPAC name of ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane (CID 143343159) is ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane.
What is the SMILES notation for ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane?
The canonical SMILES for ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane is C=C/C(=C/C)CCC.CC.CC.CC.CCC.CCCP.
What is the InChIKey of ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane?
The InChIKey is OUBJIUWMKXGMNG-NXDPQDIUSA-N. The full InChI is InChI=1S/C8H14.C3H9P.C3H8.3C2H6/c1-4-7-8(5-2)6-3;1-2-3-4;1-3-2;3*1-2/h5-6H,2,4,7H2,1,3H3;2-4H2,1H3;3H2,1-2H3;3*1-2H3/b8-6-;;;;;.
What are the key properties of ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane?
ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane has a molecular weight of 320.59 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane is sourced from PubChem (CID 143343159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).