2-cyclopentyl-2-methyldecanoic acid

C16H30O2 — CID 175087816

IUPAC2-cyclopentyl-2-methyldecanoic acid
SMILESCCCCCCCCC(C)(C(=O)O)C1CCCC1
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-10-13-16(2,15(17)18)14-11-8-9-12-14/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyVQVWWOHKAJQMEJ-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.02
Rot. Bonds9

About 2-cyclopentyl-2-methyldecanoic acid

2-cyclopentyl-2-methyldecanoic acid (PubChem CID 175087816) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-cyclopentyl-2-methyldecanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-methyldecanoic acid
PubChem CID175087816
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-cyclopentyl-2-methyldecanoic acid
SMILESCCCCCCCCC(C)(C(=O)O)C1CCCC1
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-10-13-16(2,15(17)18)14-11-8-9-12-14/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyVQVWWOHKAJQMEJ-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
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2-methyl-2-piperidin-4-yldecanedioic acid
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2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
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2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
2-cyclopentyl-2-dimethylsilylhexanoic acid
CID 151529268
2,2-dimethyldocosanoic acid
CID 23471202
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methyldecanoic acid?
The IUPAC name of 2-cyclopentyl-2-methyldecanoic acid (CID 175087816) is 2-cyclopentyl-2-methyldecanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-methyldecanoic acid?
The canonical SMILES for 2-cyclopentyl-2-methyldecanoic acid is CCCCCCCCC(C)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methyldecanoic acid?
The InChIKey is VQVWWOHKAJQMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-4-5-6-7-10-13-16(2,15(17)18)14-11-8-9-12-14/h14H,3-13H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopentyl-2-methyldecanoic acid?
2-cyclopentyl-2-methyldecanoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methyldecanoic acid is sourced from PubChem (CID 175087816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).