but-1-ene;(Z)-pent-2-ene

C9H18 — CID 156866422

IUPACbut-1-ene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=CCC
InChIInChI=1S/C5H10.C4H8/c1-3-5-4-2;1-3-4-2/h3,5H,4H2,1-2H3;3H,1,4H2,2H3/b5-3-;
InChIKeyILUPQVVRDBEATM-FBZPGIPVSA-N
MW126.24 g/mol
LogP3.55
Rot. Bonds2

About but-1-ene;(Z)-pent-2-ene

but-1-ene;(Z)-pent-2-ene (PubChem CID 156866422) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is but-1-ene;(Z)-pent-2-ene.

Molecular Properties

Compound Namebut-1-ene;(Z)-pent-2-ene
PubChem CID156866422
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namebut-1-ene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=CCC
InChIInChI=1S/C5H10.C4H8/c1-3-5-4-2;1-3-4-2/h3,5H,4H2,1-2H3;3H,1,4H2,2H3/b5-3-;
InChIKeyILUPQVVRDBEATM-FBZPGIPVSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(pent-1-ene);pent-2-ene
CID 158608078
ethane;ethene;(E)-pent-2-ene
CID 154666573
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
methane;penta-1,3-diene;pent-2-ene
CID 158883793
ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine
CID 144512027
ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene
CID 142609850
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943

Frequently Asked Questions

What is the IUPAC name of but-1-ene;(Z)-pent-2-ene?
The IUPAC name of but-1-ene;(Z)-pent-2-ene (CID 156866422) is but-1-ene;(Z)-pent-2-ene.
What is the SMILES notation for but-1-ene;(Z)-pent-2-ene?
The canonical SMILES for but-1-ene;(Z)-pent-2-ene is C/C=C\CC.C=CCC.
What is the InChIKey of but-1-ene;(Z)-pent-2-ene?
The InChIKey is ILUPQVVRDBEATM-FBZPGIPVSA-N. The full InChI is InChI=1S/C5H10.C4H8/c1-3-5-4-2;1-3-4-2/h3,5H,4H2,1-2H3;3H,1,4H2,2H3/b5-3-;.
What are the key properties of but-1-ene;(Z)-pent-2-ene?
but-1-ene;(Z)-pent-2-ene has a molecular weight of 126.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;(Z)-pent-2-ene is sourced from PubChem (CID 156866422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).