5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid

C9H16O4 — CID 15453756

IUPAC5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC1(CCCCC(=O)O)OCCO1
InChIInChI=1S/C9H16O4/c1-9(12-6-7-13-9)5-3-2-4-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKeyVYFHDOYKOOENAX-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.39
Rot. Bonds5

About 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid

5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid (PubChem CID 15453756) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
PubChem CID15453756
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC1(CCCCC(=O)O)OCCO1
InChIInChI=1S/C9H16O4/c1-9(12-6-7-13-9)5-3-2-4-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKeyVYFHDOYKOOENAX-UHFFFAOYSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The IUPAC name of 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid (CID 15453756) is 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid.
What is the SMILES notation for 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The canonical SMILES for 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid is CC1(CCCCC(=O)O)OCCO1.
What is the InChIKey of 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The InChIKey is VYFHDOYKOOENAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(12-6-7-13-9)5-3-2-4-8(10)11/h2-7H2,1H3,(H,10,11).
What are the key properties of 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid is sourced from PubChem (CID 15453756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).