2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid

C7H12O4 — CID 13085716

IUPAC2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid
SMILESCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C7H12O4/c1-2-7(5-6(8)9)10-3-4-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyVHKWVBFIWYCGDC-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.61
Rot. Bonds3

About 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid

2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 13085716) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid
PubChem CID13085716
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid
SMILESCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C7H12O4/c1-2-7(5-6(8)9)10-3-4-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyVHKWVBFIWYCGDC-UHFFFAOYSA-N
XLogP0.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one
CID 178148401
2-[2-(chloromethyl)-1,3-dioxolan-2-yl]acetic acid
CID 19090067
methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
CID 167558063
2,2-diethyl-1,3-dioxolane;pentan-3-one
CID 161116524
2-(2-ethyloxolan-2-yl)acetic acid
CID 18432801
2-ethyl-2-(iodomethyl)-1,3-dioxolane
CID 13331255
2-(2-methyloxiran-2-yl)acetic acid
CID 87261352
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
2-[2-[(2-amino-6-methylphenyl)methyl]-1,3-dioxolan-2-yl]acetic acid
CID 163321108
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
CID 66037412
2-[4-(diethylamino)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526617

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid (CID 13085716) is 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid is CCC1(CC(=O)O)OCCO1.
What is the InChIKey of 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is VHKWVBFIWYCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-2-7(5-6(8)9)10-3-4-11-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid?
2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid has a molecular weight of 160.17 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 13085716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).