2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid

C14H26O3 — CID 67677892

IUPAC2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid
SMILESCCC(OC)C(C(=O)O)(C(C)C)C1CCCC1
InChIInChI=1S/C14H26O3/c1-5-12(17-4)14(10(2)3,13(15)16)11-8-6-7-9-11/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyJMCKNSNILVEMSP-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.33
Rot. Bonds6

About 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid

2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid (PubChem CID 67677892) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid
PubChem CID67677892
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid
SMILESCCC(OC)C(C(=O)O)(C(C)C)C1CCCC1
InChIInChI=1S/C14H26O3/c1-5-12(17-4)14(10(2)3,13(15)16)11-8-6-7-9-11/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyJMCKNSNILVEMSP-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
CID 67678236
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2-cyclohexyl-2-methoxycarbothioylbutanoic acid
CID 174349649
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
2-cyclopentylbutan-2-yl 2-methylpropanoate
CID 59782925
2-cyclopentyl-2-methoxypropanoic acid
CID 83827283
2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
CID 81251876
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid?
The IUPAC name of 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid (CID 67677892) is 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid?
The canonical SMILES for 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid is CCC(OC)C(C(=O)O)(C(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid?
The InChIKey is JMCKNSNILVEMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-12(17-4)14(10(2)3,13(15)16)11-8-6-7-9-11/h10-12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid?
2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 67677892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).