3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene

C16H24 — CID 141167228

IUPAC3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene
SMILESC=CCC(C=CCC)(C(=C)C)C(C=C)=CC
InChIInChI=1S/C16H24/c1-7-11-13-16(12-8-2,14(5)6)15(9-3)10-4/h8-11,13H,2-3,5,7,12H2,1,4,6H3
InChIKeyFGZYLCZWEGKXMZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.22
Rot. Bonds7

About 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene

3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene (PubChem CID 141167228) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene.

Molecular Properties

Compound Name3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene
PubChem CID141167228
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene
SMILESC=CCC(C=CCC)(C(=C)C)C(C=C)=CC
InChIInChI=1S/C16H24/c1-7-11-13-16(12-8-2,14(5)6)15(9-3)10-4/h8-11,13H,2-3,5,7,12H2,1,4,6H3
InChIKeyFGZYLCZWEGKXMZ-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.22
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

5-but-1-enyl-5-prop-2-enylnona-3,6-diene
CID 173069698
(5E)-4-tert-butyl-4-methylocta-1,5-diene
CID 22133460
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
but-1-ene;(Z)-pent-2-ene
CID 156866422
but-1-ene;2-methylbut-1-ene
CID 90770104
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene
CID 160606549
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
2,5-dimethyl-5-propylocta-1,3,7-triene
CID 123969278
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene?
The IUPAC name of 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene (CID 141167228) is 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene.
What is the SMILES notation for 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene?
The canonical SMILES for 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene is C=CCC(C=CCC)(C(=C)C)C(C=C)=CC.
What is the InChIKey of 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene?
The InChIKey is FGZYLCZWEGKXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-7-11-13-16(12-8-2,14(5)6)15(9-3)10-4/h8-11,13H,2-3,5,7,12H2,1,4,6H3.
What are the key properties of 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene?
3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene has a molecular weight of 216.37 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene is sourced from PubChem (CID 141167228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).