(2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid

C12H20O4 — CID 129106950

IUPAC(2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid
SMILESC=CC[C@@H](CCCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-5-10(11(13)14)6-4-7-12(2)15-8-9-16-12/h3,10H,1,4-9H2,2H3,(H,13,14)/t10-/m0/s1
InChIKeyGFIUDRKWXBHIQY-JTQLQIEISA-N
MW228.29 g/mol
LogP2.20
Rot. Bonds7

About (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid

(2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid (PubChem CID 129106950) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid
PubChem CID129106950
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid
SMILESC=CC[C@@H](CCCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-5-10(11(13)14)6-4-7-12(2)15-8-9-16-12/h3,10H,1,4-9H2,2H3,(H,13,14)/t10-/m0/s1
InChIKeyGFIUDRKWXBHIQY-JTQLQIEISA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid?
The IUPAC name of (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid (CID 129106950) is (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid.
What is the SMILES notation for (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid?
The canonical SMILES for (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid is C=CC[C@@H](CCCC1(C)OCCO1)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid?
The InChIKey is GFIUDRKWXBHIQY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20O4/c1-3-5-10(11(13)14)6-4-7-12(2)15-8-9-16-12/h3,10H,1,4-9H2,2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid?
(2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid has a molecular weight of 228.29 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoic acid is sourced from PubChem (CID 129106950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).