cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate

C15H30O4 — CID 162270399

IUPACcyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
SMILESC.C.COC(=O)C1CCCC1.O=C(O)C1CCCC1
InChIInChI=1S/C7H12O2.C6H10O2.2CH4/c1-9-7(8)6-4-2-3-5-6;7-6(8)5-3-1-2-4-5;;/h6H,2-5H2,1H3;5H,1-4H2,(H,7,8);2*1H4
InChIKeyJRVZTWVIWHLSJT-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.88
Rot. Bonds2

About cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate

cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate (PubChem CID 162270399) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate.

Molecular Properties

Compound Namecyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
PubChem CID162270399
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Namecyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
SMILESC.C.COC(=O)C1CCCC1.O=C(O)C1CCCC1
InChIInChI=1S/C7H12O2.C6H10O2.2CH4/c1-9-7(8)6-4-2-3-5-6;7-6(8)5-3-1-2-4-5;;/h6H,2-5H2,1H3;5H,1-4H2,(H,7,8);2*1H4
InChIKeyJRVZTWVIWHLSJT-UHFFFAOYSA-N
XLogP3.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate?
The IUPAC name of cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate (CID 162270399) is cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate.
What is the SMILES notation for cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate?
The canonical SMILES for cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate is C.C.COC(=O)C1CCCC1.O=C(O)C1CCCC1.
What is the InChIKey of cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate?
The InChIKey is JRVZTWVIWHLSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C6H10O2.2CH4/c1-9-7(8)6-4-2-3-5-6;7-6(8)5-3-1-2-4-5;;/h6H,2-5H2,1H3;5H,1-4H2,(H,7,8);2*1H4.
What are the key properties of cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate?
cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate has a molecular weight of 274.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate is sourced from PubChem (CID 162270399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).