ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene

C16H32 — CID 143290103

IUPACethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene
SMILESC=CC.C=CC/C(C=C)=C\CC.CC.CC
InChIInChI=1S/C9H14.C3H6.2C2H6/c1-4-7-9(6-3)8-5-2;1-3-2;2*1-2/h4,6,8H,1,3,5,7H2,2H3;3H,1H2,2H3;2*1-2H3/b9-8-;;;
InChIKeyJLTKDYZWHLJPFT-DQNNFYOXSA-N
MW224.43 g/mol
LogP6.33
Rot. Bonds4

About ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene

ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene (PubChem CID 143290103) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene.

Molecular Properties

Compound Nameethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene
PubChem CID143290103
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene
SMILESC=CC.C=CC/C(C=C)=C\CC.CC.CC
InChIInChI=1S/C9H14.C3H6.2C2H6/c1-4-7-9(6-3)8-5-2;1-3-2;2*1-2/h4,6,8H,1,3,5,7H2,2H3;3H,1H2,2H3;2*1-2H3/b9-8-;;;
InChIKeyJLTKDYZWHLJPFT-DQNNFYOXSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.33
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

4-ethenylhexa-1,4-diene
CID 85441048
4-but-2-en-2-ylhepta-1,4-diene
CID 91412831
but-1-ene;ethane;(3E)-hexa-1,3-dien-3-ol
CID 143333385
6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
CID 123903824
ethane;(4Z,6E)-6-ethylnona-1,4,6-triene
CID 143827979
(3E)-3-(chloromethyl)penta-1,3-diene;ethane;prop-1-ene
CID 144532054
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)
CID 159132370
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(2E)-2-ethylidene-N-methylpent-4-en-1-imine
CID 144940239

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene?
The IUPAC name of ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene (CID 143290103) is ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene.
What is the SMILES notation for ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene?
The canonical SMILES for ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene is C=CC.C=CC/C(C=C)=C\CC.CC.CC.
What is the InChIKey of ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene?
The InChIKey is JLTKDYZWHLJPFT-DQNNFYOXSA-N. The full InChI is InChI=1S/C9H14.C3H6.2C2H6/c1-4-7-9(6-3)8-5-2;1-3-2;2*1-2/h4,6,8H,1,3,5,7H2,2H3;3H,1H2,2H3;2*1-2H3/b9-8-;;;.
What are the key properties of ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene?
ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene has a molecular weight of 224.43 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene is sourced from PubChem (CID 143290103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).