acetic acid;2-methylbutane

C7H16O2 — CID 172862544

IUPACacetic acid;2-methylbutane
SMILESCC(=O)O.CCC(C)C
InChIInChI=1S/C5H12.C2H4O2/c1-4-5(2)3;1-2(3)4/h5H,4H2,1-3H3;1H3,(H,3,4)
InChIKeyZNYHOLYIMVKBMZ-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.14
Rot. Bonds1

About acetic acid;2-methylbutane

acetic acid;2-methylbutane (PubChem CID 172862544) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is acetic acid;2-methylbutane.

Molecular Properties

Compound Nameacetic acid;2-methylbutane
PubChem CID172862544
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameacetic acid;2-methylbutane
SMILESCC(=O)O.CCC(C)C
InChIInChI=1S/C5H12.C2H4O2/c1-4-5(2)3;1-2(3)4/h5H,4H2,1-3H3;1H3,(H,3,4)
InChIKeyZNYHOLYIMVKBMZ-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tris(carbonofluoridic acid);2-methylbutane
CID 175037504
acetic acid;bis(butan-2-ol)
CID 139558658
acetic acid;tetraethylphosphanium
CID 159003626
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
acetic acid;butane;bis(propan-2-ol);rhenium
CID 161496195
acetic acid;copper;2-methylpropan-1-amine
CID 88782115
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
hydroxylamine;2-methylbutane
CID 175063986

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methylbutane?
The IUPAC name of acetic acid;2-methylbutane (CID 172862544) is acetic acid;2-methylbutane.
What is the SMILES notation for acetic acid;2-methylbutane?
The canonical SMILES for acetic acid;2-methylbutane is CC(=O)O.CCC(C)C.
What is the InChIKey of acetic acid;2-methylbutane?
The InChIKey is ZNYHOLYIMVKBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C2H4O2/c1-4-5(2)3;1-2(3)4/h5H,4H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methylbutane?
acetic acid;2-methylbutane has a molecular weight of 132.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methylbutane is sourced from PubChem (CID 172862544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).