2-(1-propylcyclodecanecarbonyl)pentanoic acid

C19H34O3 — CID 140699376

IUPAC2-(1-propylcyclodecanecarbonyl)pentanoic acid
SMILESCCCC(C(=O)O)C(=O)C1(CCC)CCCCCCCCC1
InChIInChI=1S/C19H34O3/c1-3-12-16(18(21)22)17(20)19(13-4-2)14-10-8-6-5-7-9-11-15-19/h16H,3-15H2,1-2H3,(H,21,22)
InChIKeyDWXHGIRLRHGKGA-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.37
Rot. Bonds7

About 2-(1-propylcyclodecanecarbonyl)pentanoic acid

2-(1-propylcyclodecanecarbonyl)pentanoic acid (PubChem CID 140699376) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-(1-propylcyclodecanecarbonyl)pentanoic acid.

Molecular Properties

Compound Name2-(1-propylcyclodecanecarbonyl)pentanoic acid
PubChem CID140699376
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name2-(1-propylcyclodecanecarbonyl)pentanoic acid
SMILESCCCC(C(=O)O)C(=O)C1(CCC)CCCCCCCCC1
InChIInChI=1S/C19H34O3/c1-3-12-16(18(21)22)17(20)19(13-4-2)14-10-8-6-5-7-9-11-15-19/h16H,3-15H2,1-2H3,(H,21,22)
InChIKeyDWXHGIRLRHGKGA-UHFFFAOYSA-N
XLogP5.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylcyclodecanecarbonyl)pentanoic acid?
The IUPAC name of 2-(1-propylcyclodecanecarbonyl)pentanoic acid (CID 140699376) is 2-(1-propylcyclodecanecarbonyl)pentanoic acid.
What is the SMILES notation for 2-(1-propylcyclodecanecarbonyl)pentanoic acid?
The canonical SMILES for 2-(1-propylcyclodecanecarbonyl)pentanoic acid is CCCC(C(=O)O)C(=O)C1(CCC)CCCCCCCCC1.
What is the InChIKey of 2-(1-propylcyclodecanecarbonyl)pentanoic acid?
The InChIKey is DWXHGIRLRHGKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-3-12-16(18(21)22)17(20)19(13-4-2)14-10-8-6-5-7-9-11-15-19/h16H,3-15H2,1-2H3,(H,21,22).
What are the key properties of 2-(1-propylcyclodecanecarbonyl)pentanoic acid?
2-(1-propylcyclodecanecarbonyl)pentanoic acid has a molecular weight of 310.48 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylcyclodecanecarbonyl)pentanoic acid is sourced from PubChem (CID 140699376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).