5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid

C12H22O4 — CID 162400932

IUPAC5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC1(C)OC(CCCCC(=O)O)OC1(C)C
InChIInChI=1S/C12H22O4/c1-11(2)12(3,4)16-10(15-11)8-6-5-7-9(13)14/h10H,5-8H2,1-4H3,(H,13,14)
InChIKeyXATVUTGAFKTKBS-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.56
Rot. Bonds5

About 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid

5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid (PubChem CID 162400932) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid
PubChem CID162400932
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC1(C)OC(CCCCC(=O)O)OC1(C)C
InChIInChI=1S/C12H22O4/c1-11(2)12(3,4)16-10(15-11)8-6-5-7-9(13)14/h10H,5-8H2,1-4H3,(H,13,14)
InChIKeyXATVUTGAFKTKBS-UHFFFAOYSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.56
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-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid (CID 162400932) is 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid is CC1(C)OC(CCCCC(=O)O)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid?
The InChIKey is XATVUTGAFKTKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-11(2)12(3,4)16-10(15-11)8-6-5-7-9(13)14/h10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid?
5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid has a molecular weight of 230.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pentanoic acid is sourced from PubChem (CID 162400932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).