butanoic acid;2-methyloxirane

C7H14O3 — CID 159918705

IUPACbutanoic acid;2-methyloxirane
SMILESCC1CO1.CCCC(=O)O
InChIInChI=1S/C4H8O2.C3H6O/c1-2-3-4(5)6;1-3-2-4-3/h2-3H2,1H3,(H,5,6);3H,2H2,1H3
InChIKeyNYCVWOGQRYKIHQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds2

About butanoic acid;2-methyloxirane

butanoic acid;2-methyloxirane (PubChem CID 159918705) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is butanoic acid;2-methyloxirane.

Molecular Properties

Compound Namebutanoic acid;2-methyloxirane
PubChem CID159918705
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namebutanoic acid;2-methyloxirane
SMILESCC1CO1.CCCC(=O)O
InChIInChI=1S/C4H8O2.C3H6O/c1-2-3-4(5)6;1-3-2-4-3/h2-3H2,1H3,(H,5,6);3H,2H2,1H3
InChIKeyNYCVWOGQRYKIHQ-UHFFFAOYSA-N
XLogP1.28
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;2-methyloxirane
CID 87390185
docosanoic acid;2-methyloxirane
CID 159912767
dodecanoic acid;2-methyloxirane;oxirane
CID 6453615
butanoic acid;dihydrochloride
CID 173423767
CID 88693438
CID 88693438
butanoic acid;mercury
CID 87059277
butanoic acid;zirconium
CID 87090666
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
butanoic acid;praseodymium
CID 88777452

Frequently Asked Questions

What is the IUPAC name of butanoic acid;2-methyloxirane?
The IUPAC name of butanoic acid;2-methyloxirane (CID 159918705) is butanoic acid;2-methyloxirane.
What is the SMILES notation for butanoic acid;2-methyloxirane?
The canonical SMILES for butanoic acid;2-methyloxirane is CC1CO1.CCCC(=O)O.
What is the InChIKey of butanoic acid;2-methyloxirane?
The InChIKey is NYCVWOGQRYKIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O/c1-2-3-4(5)6;1-3-2-4-3/h2-3H2,1H3,(H,5,6);3H,2H2,1H3.
What are the key properties of butanoic acid;2-methyloxirane?
butanoic acid;2-methyloxirane has a molecular weight of 146.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;2-methyloxirane is sourced from PubChem (CID 159918705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).