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

C11H18O4 — CID 118175668

IUPAC(2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid
SMILESC=CC[C@@H](CCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C11H18O4/c1-3-4-9(10(12)13)5-6-11(2)14-7-8-15-11/h3,9H,1,4-8H2,2H3,(H,12,13)/t9-/m0/s1
InChIKeyFVSHEHXWRZXPKT-VIFPVBQESA-N
MW214.26 g/mol
LogP1.81
Rot. Bonds6

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

(2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid (PubChem CID 118175668) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid
PubChem CID118175668
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid
SMILESC=CC[C@@H](CCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C11H18O4/c1-3-4-9(10(12)13)5-6-11(2)14-7-8-15-11/h3,9H,1,4-8H2,2H3,(H,12,13)/t9-/m0/s1
InChIKeyFVSHEHXWRZXPKT-VIFPVBQESA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.81
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-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid?
The IUPAC name of (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid (CID 118175668) is (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid.
What is the SMILES notation for (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid?
The canonical SMILES for (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid is C=CC[C@@H](CCC1(C)OCCO1)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid?
The InChIKey is FVSHEHXWRZXPKT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O4/c1-3-4-9(10(12)13)5-6-11(2)14-7-8-15-11/h3,9H,1,4-8H2,2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid?
(2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid is sourced from PubChem (CID 118175668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).