(E)-but-2-ene;ethane;2-methylbut-2-ene

C13H30 — CID 144902553

IUPAC(E)-but-2-ene;ethane;2-methylbut-2-ene
SMILESC/C=C/C.CC.CC.CC=C(C)C
InChIInChI=1S/C5H10.C4H8.2C2H6/c1-4-5(2)3;1-3-4-2;2*1-2/h4H,1-3H3;3-4H,1-2H3;2*1-2H3/b;4-3+;;
InChIKeyRYRRIDMFJTZWAP-NXZCPFRHSA-N
MW186.38 g/mol
LogP5.61
Rot. Bonds

About (E)-but-2-ene;ethane;2-methylbut-2-ene

(E)-but-2-ene;ethane;2-methylbut-2-ene (PubChem CID 144902553) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is (E)-but-2-ene;ethane;2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-but-2-ene;ethane;2-methylbut-2-ene
PubChem CID144902553
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name(E)-but-2-ene;ethane;2-methylbut-2-ene
SMILESC/C=C/C.CC.CC.CC=C(C)C
InChIInChI=1S/C5H10.C4H8.2C2H6/c1-4-5(2)3;1-3-4-2;2*1-2/h4H,1-3H3;3-4H,1-2H3;2*1-2H3/b;4-3+;;
InChIKeyRYRRIDMFJTZWAP-NXZCPFRHSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.61
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

but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene
CID 163787283
alumane;2-methylbut-2-ene
CID 174293100
(Z)-but-2-ene;ethane
CID 90897883
lithium;hydride;2-methylbut-2-ene
CID 174648153
2-methylbut-2-ene;silane;hydrate
CID 174815005
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
acetic acid;2-methylbut-2-ene
CID 155128325
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
but-2-ene;hydrofluoride
CID 160556119
azane;but-2-ene
CID 158027647
CID 161256128
CID 161256128
bis(but-2-ene);hydrate
CID 129188484

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;ethane;2-methylbut-2-ene?
The IUPAC name of (E)-but-2-ene;ethane;2-methylbut-2-ene (CID 144902553) is (E)-but-2-ene;ethane;2-methylbut-2-ene.
What is the SMILES notation for (E)-but-2-ene;ethane;2-methylbut-2-ene?
The canonical SMILES for (E)-but-2-ene;ethane;2-methylbut-2-ene is C/C=C/C.CC.CC.CC=C(C)C.
What is the InChIKey of (E)-but-2-ene;ethane;2-methylbut-2-ene?
The InChIKey is RYRRIDMFJTZWAP-NXZCPFRHSA-N. The full InChI is InChI=1S/C5H10.C4H8.2C2H6/c1-4-5(2)3;1-3-4-2;2*1-2/h4H,1-3H3;3-4H,1-2H3;2*1-2H3/b;4-3+;;.
What are the key properties of (E)-but-2-ene;ethane;2-methylbut-2-ene?
(E)-but-2-ene;ethane;2-methylbut-2-ene has a molecular weight of 186.38 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;ethane;2-methylbut-2-ene is sourced from PubChem (CID 144902553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).