acetic acid;2-methylbut-2-ene

C7H14O2 — CID 155128325

IUPACacetic acid;2-methylbut-2-ene
SMILESCC(=O)O.CC=C(C)C
InChIInChI=1S/C5H10.C2H4O2/c1-4-5(2)3;1-2(3)4/h4H,1-3H3;1H3,(H,3,4)
InChIKeyZJRTZAORJHLDRQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.06
Rot. Bonds

About acetic acid;2-methylbut-2-ene

acetic acid;2-methylbut-2-ene (PubChem CID 155128325) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is acetic acid;2-methylbut-2-ene.

Molecular Properties

Compound Nameacetic acid;2-methylbut-2-ene
PubChem CID155128325
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameacetic acid;2-methylbut-2-ene
SMILESCC(=O)O.CC=C(C)C
InChIInChI=1S/C5H10.C2H4O2/c1-4-5(2)3;1-2(3)4/h4H,1-3H3;1H3,(H,3,4)
InChIKeyZJRTZAORJHLDRQ-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetic acid;2-methylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid
CID 158444727
acetic acid;prop-1-en-1-ol
CID 71354158
acetic acid;carbonic acid;prop-1-ene
CID 87718804
acetic acid;germane
CID 174334920
acetic acid;ruthenium
CID 175502908
acetic acid;vanadium
CID 173443465
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 54602348
acetic acid;ethane
CID 173070051
acetic acid;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methylbut-2-ene?
The IUPAC name of acetic acid;2-methylbut-2-ene (CID 155128325) is acetic acid;2-methylbut-2-ene.
What is the SMILES notation for acetic acid;2-methylbut-2-ene?
The canonical SMILES for acetic acid;2-methylbut-2-ene is CC(=O)O.CC=C(C)C.
What is the InChIKey of acetic acid;2-methylbut-2-ene?
The InChIKey is ZJRTZAORJHLDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C2H4O2/c1-4-5(2)3;1-2(3)4/h4H,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methylbut-2-ene?
acetic acid;2-methylbut-2-ene has a molecular weight of 130.19 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methylbut-2-ene is sourced from PubChem (CID 155128325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).