2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid

C10H16O5 — CID 10104734

IUPAC2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid
SMILESC=CC1(COCC(=O)O)COC(C)(C)O1
InChIInChI=1S/C10H16O5/c1-4-10(6-13-5-8(11)12)7-14-9(2,3)15-10/h4H,1,5-7H2,2-3H3,(H,11,12)
InChIKeySVNLOSFGVCVNSN-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.80
Rot. Bonds5

About 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid

2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid (PubChem CID 10104734) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid
PubChem CID10104734
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid
SMILESC=CC1(COCC(=O)O)COC(C)(C)O1
InChIInChI=1S/C10H16O5/c1-4-10(6-13-5-8(11)12)7-14-9(2,3)15-10/h4H,1,5-7H2,2-3H3,(H,11,12)
InChIKeySVNLOSFGVCVNSN-UHFFFAOYSA-N
XLogP0.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid (CID 10104734) is 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid is C=CC1(COCC(=O)O)COC(C)(C)O1.
What is the InChIKey of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid?
The InChIKey is SVNLOSFGVCVNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-10(6-13-5-8(11)12)7-14-9(2,3)15-10/h4H,1,5-7H2,2-3H3,(H,11,12).
What are the key properties of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid?
2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid has a molecular weight of 216.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid is sourced from PubChem (CID 10104734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).