2-methylbut-2-ene

C5H10 — CID 10553

IUPAC2-methylbut-2-ene
SMILESCC=C(C)C
InChIInChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3
InChIKeyBKOOMYPCSUNDGP-UHFFFAOYSA-N
MW70.13 g/mol
LogP1.97
Rot. Bonds

About 2-methylbut-2-ene

2-methylbut-2-ene (PubChem CID 10553) has the molecular formula C5H10 and a molecular weight of 70.13 g/mol. Its IUPAC name is 2-methylbut-2-ene.

Molecular Properties

Compound Name2-methylbut-2-ene
PubChem CID10553
Molecular FormulaC5H10
Molecular Weight70.13 g/mol
Exact Mass70.08
IUPAC Name2-methylbut-2-ene
SMILESCC=C(C)C
InChIInChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3
InChIKeyBKOOMYPCSUNDGP-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.13
LogP ≤ 51.97
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

Isobutylene
CID 8255
Biisocrotyl
CID 12992
1-Methylcyclopropene
CID 151080
4-Methyl-1,3-pentadiene
CID 13555
2-Methyl-2,4-hexadiene
CID 5367611
2,3-Pentadiene, 2-methyl-
CID 137807
2-Methylhexa-2,4-diene
CID 520396
1-Iodo-3-methyl-2-butene
CID 11333045
Lithium, (3-methyl-2-butenyl)-
CID 11815813
Prenyl fluoride
CID 53743473
2-Penten-4-yne, 2-methyl-
CID 534132
2-Methyl-2-hexen-4-yne
CID 565005

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene?
The IUPAC name of 2-methylbut-2-ene (CID 10553) is 2-methylbut-2-ene.
What is the SMILES notation for 2-methylbut-2-ene?
The canonical SMILES for 2-methylbut-2-ene is CC=C(C)C.
What is the InChIKey of 2-methylbut-2-ene?
The InChIKey is BKOOMYPCSUNDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3.
What are the key properties of 2-methylbut-2-ene?
2-methylbut-2-ene has a molecular weight of 70.13 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene is sourced from PubChem (CID 10553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).