dodecanoic acid;2-methyloxirane;oxirane

C17H34O4 — CID 6453615

IUPACdodecanoic acid;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C3H6O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-2-4-3;1-2-3-1/h2-11H2,1H3,(H,13,14);3H,2H2,1H3;1-2H2
InChIKeyLNMYMRSIMGNRAN-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.41
Rot. Bonds10

About dodecanoic acid;2-methyloxirane;oxirane

dodecanoic acid;2-methyloxirane;oxirane (PubChem CID 6453615) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is dodecanoic acid;2-methyloxirane;oxirane.

Molecular Properties

Compound Namedodecanoic acid;2-methyloxirane;oxirane
PubChem CID6453615
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Namedodecanoic acid;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C3H6O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-2-4-3;1-2-3-1/h2-11H2,1H3,(H,13,14);3H,2H2,1H3;1-2H2
InChIKeyLNMYMRSIMGNRAN-UHFFFAOYSA-N
XLogP4.41
TPSA62.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

docosanoic acid;2-methyloxirane
CID 159912767
hexanoic acid;oxirane
CID 159231946
dioxane;undecanoic acid
CID 174785577
dioxane;tridecanoic acid
CID 174785517
7-(4-octyloxolan-3-yl)heptanoic acid
CID 53463626
butanoic acid;2-methyloxirane
CID 159918705
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;2-methyloxirane;oxirane?
The IUPAC name of dodecanoic acid;2-methyloxirane;oxirane (CID 6453615) is dodecanoic acid;2-methyloxirane;oxirane.
What is the SMILES notation for dodecanoic acid;2-methyloxirane;oxirane?
The canonical SMILES for dodecanoic acid;2-methyloxirane;oxirane is C1CO1.CC1CO1.CCCCCCCCCCCC(=O)O.
What is the InChIKey of dodecanoic acid;2-methyloxirane;oxirane?
The InChIKey is LNMYMRSIMGNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C3H6O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-2-4-3;1-2-3-1/h2-11H2,1H3,(H,13,14);3H,2H2,1H3;1-2H2.
What are the key properties of dodecanoic acid;2-methyloxirane;oxirane?
dodecanoic acid;2-methyloxirane;oxirane has a molecular weight of 302.46 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;2-methyloxirane;oxirane is sourced from PubChem (CID 6453615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).