acetic acid;3-methylbut-1-en-2-ol

C7H14O3 — CID 71446576

IUPACacetic acid;3-methylbut-1-en-2-ol
SMILESC=C(O)C(C)C.CC(=O)O
InChIInChI=1S/C5H10O.C2H4O2/c1-4(2)5(3)6;1-2(3)4/h4,6H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyPEIZUXODCAVYNA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.80
Rot. Bonds1

About acetic acid;3-methylbut-1-en-2-ol

acetic acid;3-methylbut-1-en-2-ol (PubChem CID 71446576) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is acetic acid;3-methylbut-1-en-2-ol.

Molecular Properties

Compound Nameacetic acid;3-methylbut-1-en-2-ol
PubChem CID71446576
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameacetic acid;3-methylbut-1-en-2-ol
SMILESC=C(O)C(C)C.CC(=O)O
InChIInChI=1S/C5H10O.C2H4O2/c1-4(2)5(3)6;1-2(3)4/h4,6H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyPEIZUXODCAVYNA-UHFFFAOYSA-N
XLogP1.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-methylprop-1-ene
CID 139328555
acetic acid;2,4-dimethylpentan-3-one
CID 87250045
acetic acid;ethene
CID 172797220
acetic acid
CID 158444727
acetic acid;ethane-1,1-diamine
CID 157325550
acetic acid;2-methylprop-2-enoic acid
CID 21426946
acetic acid;methanetriol
CID 174483633
2-methylpropanoic acid
CID 173073412
acetic acid;formaldehyde;hydrate
CID 19350045
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
acetic acid;1-aminoethanol
CID 87647185
acetic acid;cobalt
CID 54602348

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-methylbut-1-en-2-ol?
The IUPAC name of acetic acid;3-methylbut-1-en-2-ol (CID 71446576) is acetic acid;3-methylbut-1-en-2-ol.
What is the SMILES notation for acetic acid;3-methylbut-1-en-2-ol?
The canonical SMILES for acetic acid;3-methylbut-1-en-2-ol is C=C(O)C(C)C.CC(=O)O.
What is the InChIKey of acetic acid;3-methylbut-1-en-2-ol?
The InChIKey is PEIZUXODCAVYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C2H4O2/c1-4(2)5(3)6;1-2(3)4/h4,6H,3H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-methylbut-1-en-2-ol?
acetic acid;3-methylbut-1-en-2-ol has a molecular weight of 146.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-methylbut-1-en-2-ol is sourced from PubChem (CID 71446576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).