(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane

C18H42 — CID 142056064

IUPAC(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
SMILESC/C=C\C.C=C/C=C\C.CC.CC.CC.CCC
InChIInChI=1S/C5H8.C4H8.C3H8.3C2H6/c1-3-5-4-2;1-3-4-2;1-3-2;3*1-2/h3-5H,1H2,2H3;3-4H,1-2H3;3H2,1-2H3;3*1-2H3/b5-4-;4-3-;;;;
InChIKeyVQQOPXKAHFDRAK-PWVLHTOOSA-N
MW258.53 g/mol
LogP7.83
Rot. Bonds1

About (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane

(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane (PubChem CID 142056064) has the molecular formula C18H42 and a molecular weight of 258.53 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
PubChem CID142056064
Molecular FormulaC18H42
Molecular Weight258.53 g/mol
Exact Mass258.33
IUPAC Name(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
SMILESC/C=C\C.C=C/C=C\C.CC.CC.CC.CCC
InChIInChI=1S/C5H8.C4H8.C3H8.3C2H6/c1-3-5-4-2;1-3-4-2;1-3-2;3*1-2/h3-5H,1H2,2H3;3-4H,1-2H3;3H2,1-2H3;3*1-2H3/b5-4-;4-3-;;;;
InChIKeyVQQOPXKAHFDRAK-PWVLHTOOSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.53
LogP ≤ 57.83
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

ethane;penta-1,3-diene;propane
CID 143367111
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
methane;(3E)-penta-1,3-diene;propane
CID 143129609
(3E)-penta-1,3-diene
CID 71777643
ethane;3-methylpentane;(3Z)-penta-1,3-diene;propane
CID 142901462
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene
CID 143978437

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane?
The IUPAC name of (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane (CID 142056064) is (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane.
What is the SMILES notation for (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane?
The canonical SMILES for (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane is C/C=C\C.C=C/C=C\C.CC.CC.CC.CCC.
What is the InChIKey of (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane?
The InChIKey is VQQOPXKAHFDRAK-PWVLHTOOSA-N. The full InChI is InChI=1S/C5H8.C4H8.C3H8.3C2H6/c1-3-5-4-2;1-3-4-2;1-3-2;3*1-2/h3-5H,1H2,2H3;3-4H,1-2H3;3H2,1-2H3;3*1-2H3/b5-4-;4-3-;;;;.
What are the key properties of (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane?
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane has a molecular weight of 258.53 g/mol, XLogP of 7.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane is sourced from PubChem (CID 142056064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).