2-cyclopentyloxy-2,5-dimethylhexanoic acid

C13H24O3 — CID 114988575

IUPAC2-cyclopentyloxy-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(OC1CCCC1)C(=O)O
InChIInChI=1S/C13H24O3/c1-10(2)8-9-13(3,12(14)15)16-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyJBLYXPYZZNTMTR-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.23
Rot. Bonds6

About 2-cyclopentyloxy-2,5-dimethylhexanoic acid

2-cyclopentyloxy-2,5-dimethylhexanoic acid (PubChem CID 114988575) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-cyclopentyloxy-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-2,5-dimethylhexanoic acid
PubChem CID114988575
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-cyclopentyloxy-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(OC1CCCC1)C(=O)O
InChIInChI=1S/C13H24O3/c1-10(2)8-9-13(3,12(14)15)16-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyJBLYXPYZZNTMTR-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
2-cycloheptyloxy-4-methoxy-2-methylbutanoic acid
CID 114999950
2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
CID 114997758
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
2,5-dimethyl-2-(4-methylpentoxy)hexanoic acid
CID 114994396
2-cyclopentyloxy-2-ethylbutanoic acid
CID 114987710
2-(3-methoxypropoxy)-2,5-dimethylhexanoic acid
CID 114993503
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848
2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
CID 61001959
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
2-cyclohexyloxy-2-cyclopropylpropanoic acid
CID 82238646
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-2,5-dimethylhexanoic acid?
The IUPAC name of 2-cyclopentyloxy-2,5-dimethylhexanoic acid (CID 114988575) is 2-cyclopentyloxy-2,5-dimethylhexanoic acid.
What is the SMILES notation for 2-cyclopentyloxy-2,5-dimethylhexanoic acid?
The canonical SMILES for 2-cyclopentyloxy-2,5-dimethylhexanoic acid is CC(C)CCC(C)(OC1CCCC1)C(=O)O.
What is the InChIKey of 2-cyclopentyloxy-2,5-dimethylhexanoic acid?
The InChIKey is JBLYXPYZZNTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(2)8-9-13(3,12(14)15)16-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-cyclopentyloxy-2,5-dimethylhexanoic acid?
2-cyclopentyloxy-2,5-dimethylhexanoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-2,5-dimethylhexanoic acid is sourced from PubChem (CID 114988575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).