2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid

C16H30O3 — CID 67678236

IUPAC2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
SMILESCCC(OC)C(CCC(C)C)(C(=O)O)C1CCCC1
InChIInChI=1S/C16H30O3/c1-5-14(19-4)16(15(17)18,11-10-12(2)3)13-8-6-7-9-13/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeySSFZAJWGTVVKLP-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.11
Rot. Bonds8

About 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid

2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid (PubChem CID 67678236) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
PubChem CID67678236
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
SMILESCCC(OC)C(CCC(C)C)(C(=O)O)C1CCCC1
InChIInChI=1S/C16H30O3/c1-5-14(19-4)16(15(17)18,11-10-12(2)3)13-8-6-7-9-13/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeySSFZAJWGTVVKLP-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid
CID 67677892
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575
2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
CID 105455433
bis(2,2-dimethylpropyl) 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 118088525
2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
CID 61001959
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
2-cyclohexyl-2-methoxycarbothioylbutanoic acid
CID 174349649
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid?
The IUPAC name of 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid (CID 67678236) is 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid?
The canonical SMILES for 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid is CCC(OC)C(CCC(C)C)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid?
The InChIKey is SSFZAJWGTVVKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-14(19-4)16(15(17)18,11-10-12(2)3)13-8-6-7-9-13/h12-14H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid?
2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid has a molecular weight of 270.41 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid is sourced from PubChem (CID 67678236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).