(2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid

C14H22O5 — CID 170434447

IUPAC(2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid
SMILESC=CCC1CCC(C)[C@](CC2OCCO2)(C(=O)O)O1
InChIInChI=1S/C14H22O5/c1-3-4-11-6-5-10(2)14(19-11,13(15)16)9-12-17-7-8-18-12/h3,10-12H,1,4-9H2,2H3,(H,15,16)/t10?,11?,14-/m1/s1
InChIKeyIXBZEWPCYNDSDR-QIMFLAQGSA-N
MW270.32 g/mol
LogP1.96
Rot. Bonds5

About (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid

(2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid (PubChem CID 170434447) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid
PubChem CID170434447
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid
SMILESC=CCC1CCC(C)[C@](CC2OCCO2)(C(=O)O)O1
InChIInChI=1S/C14H22O5/c1-3-4-11-6-5-10(2)14(19-11,13(15)16)9-12-17-7-8-18-12/h3,10-12H,1,4-9H2,2H3,(H,15,16)/t10?,11?,14-/m1/s1
InChIKeyIXBZEWPCYNDSDR-QIMFLAQGSA-N
XLogP1.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.96
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 (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid?
The IUPAC name of (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid (CID 170434447) is (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid?
The canonical SMILES for (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid is C=CCC1CCC(C)[C@](CC2OCCO2)(C(=O)O)O1.
What is the InChIKey of (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid?
The InChIKey is IXBZEWPCYNDSDR-QIMFLAQGSA-N. The full InChI is InChI=1S/C14H22O5/c1-3-4-11-6-5-10(2)14(19-11,13(15)16)9-12-17-7-8-18-12/h3,10-12H,1,4-9H2,2H3,(H,15,16)/t10?,11?,14-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid?
(2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid has a molecular weight of 270.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylic acid is sourced from PubChem (CID 170434447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).