(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one

C7H8O4 — CID 124674242

IUPAC(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
SMILESC#CCOC[C@@H]1COC(=O)O1
InChIInChI=1S/C7H8O4/c1-2-3-9-4-6-5-10-7(8)11-6/h1,6H,3-5H2/t6-/m1/s1
InChIKeyJLKHVLOUYLQYQK-ZCFIWIBFSA-N
MW156.14 g/mol
LogP0.17
Rot. Bonds3

About (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one

(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one (PubChem CID 124674242) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
PubChem CID124674242
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
SMILESC#CCOC[C@@H]1COC(=O)O1
InChIInChI=1S/C7H8O4/c1-2-3-9-4-6-5-10-7(8)11-6/h1,6H,3-5H2/t6-/m1/s1
InChIKeyJLKHVLOUYLQYQK-ZCFIWIBFSA-N
XLogP0.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one (CID 124674242) is (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one is C#CCOC[C@@H]1COC(=O)O1.
What is the InChIKey of (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is JLKHVLOUYLQYQK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8O4/c1-2-3-9-4-6-5-10-7(8)11-6/h1,6H,3-5H2/t6-/m1/s1.
What are the key properties of (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one?
(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 156.14 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 124674242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).