8-(1,3-dioxolan-2-yl)octanoic acid

C11H20O4 — CID 12725299

IUPAC8-(1,3-dioxolan-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCC1OCCO1
InChIInChI=1S/C11H20O4/c12-10(13)6-4-2-1-3-5-7-11-14-8-9-15-11/h11H,1-9H2,(H,12,13)
InChIKeyDXPKUPAVANWEDR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds8

About 8-(1,3-dioxolan-2-yl)octanoic acid

8-(1,3-dioxolan-2-yl)octanoic acid (PubChem CID 12725299) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 8-(1,3-dioxolan-2-yl)octanoic acid.

Molecular Properties

Compound Name8-(1,3-dioxolan-2-yl)octanoic acid
PubChem CID12725299
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name8-(1,3-dioxolan-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCC1OCCO1
InChIInChI=1S/C11H20O4/c12-10(13)6-4-2-1-3-5-7-11-14-8-9-15-11/h11H,1-9H2,(H,12,13)
InChIKeyDXPKUPAVANWEDR-UHFFFAOYSA-N
XLogP2.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.17
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 8-(1,3-dioxolan-2-yl)octanoic acid?
The IUPAC name of 8-(1,3-dioxolan-2-yl)octanoic acid (CID 12725299) is 8-(1,3-dioxolan-2-yl)octanoic acid.
What is the SMILES notation for 8-(1,3-dioxolan-2-yl)octanoic acid?
The canonical SMILES for 8-(1,3-dioxolan-2-yl)octanoic acid is O=C(O)CCCCCCCC1OCCO1.
What is the InChIKey of 8-(1,3-dioxolan-2-yl)octanoic acid?
The InChIKey is DXPKUPAVANWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c12-10(13)6-4-2-1-3-5-7-11-14-8-9-15-11/h11H,1-9H2,(H,12,13).
What are the key properties of 8-(1,3-dioxolan-2-yl)octanoic acid?
8-(1,3-dioxolan-2-yl)octanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dioxolan-2-yl)octanoic acid is sourced from PubChem (CID 12725299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).