2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid

C12H22O4 — CID 65259719

IUPAC2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid
SMILESCC(C)(CCCOC1CCOCC1)C(=O)O
InChIInChI=1S/C12H22O4/c1-12(2,11(13)14)6-3-7-16-10-4-8-15-9-5-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyPMWHTMSPFJUSIM-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.07
Rot. Bonds6

About 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid

2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid (PubChem CID 65259719) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid
PubChem CID65259719
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid
SMILESCC(C)(CCCOC1CCOCC1)C(=O)O
InChIInChI=1S/C12H22O4/c1-12(2,11(13)14)6-3-7-16-10-4-8-15-9-5-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyPMWHTMSPFJUSIM-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
CID 65248373
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
CID 106711830
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid
CID 65259711
2-amino-2-methyl-5-(oxolan-3-yloxy)pentanamide
CID 63557887
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
CID 106807068
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol
CID 64819646
2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 102607418

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid (CID 65259719) is 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid is CC(C)(CCCOC1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid?
The InChIKey is PMWHTMSPFJUSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-12(2,11(13)14)6-3-7-16-10-4-8-15-9-5-10/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid?
2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid has a molecular weight of 230.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid is sourced from PubChem (CID 65259719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).