acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene

C13H28O — CID 143978437

IUPACacetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene
SMILESC=C.C=C/C=C\C.CC.CC.CC=O
InChIInChI=1S/C5H8.C2H4O.2C2H6.C2H4/c1-3-5-4-2;1-2-3;3*1-2/h3-5H,1H2,2H3;2H,1H3;2*1-2H3;1-2H2/b5-4-;;;;
InChIKeyDOVPKSQVESIBOY-HCLDKOLZSA-N
MW200.37 g/mol
LogP4.81
Rot. Bonds1

About acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene

acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene (PubChem CID 143978437) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Nameacetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene
PubChem CID143978437
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Nameacetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene
SMILESC=C.C=C/C=C\C.CC.CC.CC=O
InChIInChI=1S/C5H8.C2H4O.2C2H6.C2H4/c1-3-5-4-2;1-2-3;3*1-2/h3-5H,1H2,2H3;2H,1H3;2*1-2H3;1-2H2/b5-4-;;;;
InChIKeyDOVPKSQVESIBOY-HCLDKOLZSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
ethane;penta-1,3-diene;propane
CID 143367111
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
carbanide;penta-1,3-diene;titanium(4+);trifluoride
CID 161466579
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
dihydroxy(oxo)titanium;penta-1,3-diene
CID 88747571
acetaldehyde;buta-1,3-diene
CID 157419668

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene?
The IUPAC name of acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene (CID 143978437) is acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene.
What is the SMILES notation for acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene?
The canonical SMILES for acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene is C=C.C=C/C=C\C.CC.CC.CC=O.
What is the InChIKey of acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene?
The InChIKey is DOVPKSQVESIBOY-HCLDKOLZSA-N. The full InChI is InChI=1S/C5H8.C2H4O.2C2H6.C2H4/c1-3-5-4-2;1-2-3;3*1-2/h3-5H,1H2,2H3;2H,1H3;2*1-2H3;1-2H2/b5-4-;;;;.
What are the key properties of acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene?
acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene has a molecular weight of 200.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143978437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).