2-(oxiran-2-ylmethyl)-2-propylpentanoic acid

C11H20O3 — CID 54326407

IUPAC2-(oxiran-2-ylmethyl)-2-propylpentanoic acid
SMILESCCCC(CCC)(CC1CO1)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-11(6-4-2,10(12)13)7-9-8-14-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeySVGFRPPMKUPEFL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.45
Rot. Bonds7

About 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid

2-(oxiran-2-ylmethyl)-2-propylpentanoic acid (PubChem CID 54326407) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-2-propylpentanoic acid
PubChem CID54326407
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(oxiran-2-ylmethyl)-2-propylpentanoic acid
SMILESCCCC(CCC)(CC1CO1)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-11(6-4-2,10(12)13)7-9-8-14-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeySVGFRPPMKUPEFL-UHFFFAOYSA-N
XLogP2.45
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.45
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

ethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175401857
methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175573583
3-ethyl-2-[3-(oxiran-2-ylmethyl)pentan-3-yl]pent-2-enoic acid
CID 87811986
2-(hydroperoxymethyl)-2-propylpentanoic acid
CID 89126007
2-hexyl-2-propylnonanoic acid
CID 25095857
2-methyl-2-(oxiran-2-ylmethyl)butanamide
CID 155124478
2-(cyanomethyl)-2-propylpentanoic acid
CID 144903309
2-(2,2-dipentylheptyl)oxirane
CID 142689827
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
2-(carboxymethylsulfanyl)-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanoic acid
CID 146307928
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid?
The IUPAC name of 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid (CID 54326407) is 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid is CCCC(CCC)(CC1CO1)C(=O)O.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid?
The InChIKey is SVGFRPPMKUPEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-11(6-4-2,10(12)13)7-9-8-14-9/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid?
2-(oxiran-2-ylmethyl)-2-propylpentanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-2-propylpentanoic acid is sourced from PubChem (CID 54326407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).