cyclopentanecarboxylic acid;propylboronic acid

C9H19BO4 — CID 145219492

IUPACcyclopentanecarboxylic acid;propylboronic acid
SMILESCCCB(O)O.O=C(O)C1CCCC1
InChIInChI=1S/C6H10O2.C3H9BO2/c7-6(8)5-3-1-2-4-5;1-2-3-4(5)6/h5H,1-4H2,(H,7,8);5-6H,2-3H2,1H3
InChIKeyNDCSIVLURQXPCP-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.13
Rot. Bonds3

About cyclopentanecarboxylic acid;propylboronic acid

cyclopentanecarboxylic acid;propylboronic acid (PubChem CID 145219492) has the molecular formula C9H19BO4 and a molecular weight of 202.06 g/mol. Its IUPAC name is cyclopentanecarboxylic acid;propylboronic acid.

Molecular Properties

Compound Namecyclopentanecarboxylic acid;propylboronic acid
PubChem CID145219492
Molecular FormulaC9H19BO4
Molecular Weight202.06 g/mol
Exact Mass202.14
IUPAC Namecyclopentanecarboxylic acid;propylboronic acid
SMILESCCCB(O)O.O=C(O)C1CCCC1
InChIInChI=1S/C6H10O2.C3H9BO2/c7-6(8)5-3-1-2-4-5;1-2-3-4(5)6/h5H,1-4H2,(H,7,8);5-6H,2-3H2,1H3
InChIKeyNDCSIVLURQXPCP-UHFFFAOYSA-N
XLogP1.13
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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cyclopentanecarboxylic acid;indigane
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cyclooctadecane-1,7,13-tricarboxylic acid
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cyclohexanecarboxylic acid
CID 11286469
cyclohexanecarboxylic acid;N-ethylethanamine
CID 175970280
chloromethane;cyclohexanecarboxylic acid
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cycloheptanecarboxylic acid;indigane
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CID 53471629
CID 53471629
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CID 67185988
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CID 175413747

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylic acid;propylboronic acid?
The IUPAC name of cyclopentanecarboxylic acid;propylboronic acid (CID 145219492) is cyclopentanecarboxylic acid;propylboronic acid.
What is the SMILES notation for cyclopentanecarboxylic acid;propylboronic acid?
The canonical SMILES for cyclopentanecarboxylic acid;propylboronic acid is CCCB(O)O.O=C(O)C1CCCC1.
What is the InChIKey of cyclopentanecarboxylic acid;propylboronic acid?
The InChIKey is NDCSIVLURQXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H9BO2/c7-6(8)5-3-1-2-4-5;1-2-3-4(5)6/h5H,1-4H2,(H,7,8);5-6H,2-3H2,1H3.
What are the key properties of cyclopentanecarboxylic acid;propylboronic acid?
cyclopentanecarboxylic acid;propylboronic acid has a molecular weight of 202.06 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylic acid;propylboronic acid is sourced from PubChem (CID 145219492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).