2-cyclobutyloxy-2,4-dimethylpentanoic acid

C11H20O3 — CID 114995104

IUPAC2-cyclobutyloxy-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(OC1CCC1)C(=O)O
InChIInChI=1S/C11H20O3/c1-8(2)7-11(3,10(12)13)14-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyARLUHWPUVZBAGE-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclobutyloxy-2,4-dimethylpentanoic acid

2-cyclobutyloxy-2,4-dimethylpentanoic acid (PubChem CID 114995104) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-cyclobutyloxy-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-cyclobutyloxy-2,4-dimethylpentanoic acid
PubChem CID114995104
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-cyclobutyloxy-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(OC1CCC1)C(=O)O
InChIInChI=1S/C11H20O3/c1-8(2)7-11(3,10(12)13)14-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyARLUHWPUVZBAGE-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575
2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
CID 114997758
2-cycloheptyloxy-4-methoxy-2-methylbutanoic acid
CID 114999950
2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 134286032
2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
CID 114991026
2,4-dimethyl-2-(2-methylbutan-2-yloxy)pentanoic acid
CID 114989185
2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
CID 154015251
2-cyclopentyloxy-2-ethylbutanoic acid
CID 114987710
2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
CID 126560988
2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane
CID 163208859
2-cyclohexyloxy-2-cyclopropylpropanoic acid
CID 82238646
2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid
CID 115001183

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-2,4-dimethylpentanoic acid?
The IUPAC name of 2-cyclobutyloxy-2,4-dimethylpentanoic acid (CID 114995104) is 2-cyclobutyloxy-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-cyclobutyloxy-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-cyclobutyloxy-2,4-dimethylpentanoic acid is CC(C)CC(C)(OC1CCC1)C(=O)O.
What is the InChIKey of 2-cyclobutyloxy-2,4-dimethylpentanoic acid?
The InChIKey is ARLUHWPUVZBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(2)7-11(3,10(12)13)14-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-cyclobutyloxy-2,4-dimethylpentanoic acid?
2-cyclobutyloxy-2,4-dimethylpentanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114995104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).