2-methylbut-2-ene;(3E)-penta-1,3-diene

C10H18 — CID 6441481

IUPAC2-methylbut-2-ene;(3E)-penta-1,3-diene
SMILESC=C/C=C/C.CC=C(C)C
InChIInChI=1S/C5H10.C5H8/c1-4-5(2)3;1-3-5-4-2/h4H,1-3H3;3-5H,1H2,2H3/b;5-4+
InChIKeyKLAJKQCMOYCTDK-RCKHEGBHSA-N
MW138.25 g/mol
LogP3.72
Rot. Bonds1

About 2-methylbut-2-ene;(3E)-penta-1,3-diene

2-methylbut-2-ene;(3E)-penta-1,3-diene (PubChem CID 6441481) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-methylbut-2-ene;(3E)-penta-1,3-diene.

Molecular Properties

Compound Name2-methylbut-2-ene;(3E)-penta-1,3-diene
PubChem CID6441481
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-methylbut-2-ene;(3E)-penta-1,3-diene
SMILESC=C/C=C/C.CC=C(C)C
InChIInChI=1S/C5H10.C5H8/c1-4-5(2)3;1-3-5-4-2/h4H,1-3H3;3-5H,1H2,2H3/b;5-4+
InChIKeyKLAJKQCMOYCTDK-RCKHEGBHSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.72
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

(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
acetyl chloride;penta-1,3-diene
CID 175604931
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
carbanide;penta-1,3-diene;titanium(4+);trifluoride
CID 161466579
dihydroxy(oxo)titanium;penta-1,3-diene
CID 88747571
methane;(3E)-penta-1,3-diene;propane
CID 143129609
ethane;penta-1,3-diene;propane
CID 143367111
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene;(3E)-penta-1,3-diene?
The IUPAC name of 2-methylbut-2-ene;(3E)-penta-1,3-diene (CID 6441481) is 2-methylbut-2-ene;(3E)-penta-1,3-diene.
What is the SMILES notation for 2-methylbut-2-ene;(3E)-penta-1,3-diene?
The canonical SMILES for 2-methylbut-2-ene;(3E)-penta-1,3-diene is C=C/C=C/C.CC=C(C)C.
What is the InChIKey of 2-methylbut-2-ene;(3E)-penta-1,3-diene?
The InChIKey is KLAJKQCMOYCTDK-RCKHEGBHSA-N. The full InChI is InChI=1S/C5H10.C5H8/c1-4-5(2)3;1-3-5-4-2/h4H,1-3H3;3-5H,1H2,2H3/b;5-4+.
What are the key properties of 2-methylbut-2-ene;(3E)-penta-1,3-diene?
2-methylbut-2-ene;(3E)-penta-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;(3E)-penta-1,3-diene is sourced from PubChem (CID 6441481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).