[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate

C10H16O4 — CID 135315549

IUPAC[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-8(11)12-6-4-5-9-7-13-10(2,3)14-9/h4-5,9H,6-7H2,1-3H3/b5-4+/t9-/m0/s1
InChIKeyDDBBNQPBZLVQHR-MOVJSRMASA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds3

About [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate

[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate (PubChem CID 135315549) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
PubChem CID135315549
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-8(11)12-6-4-5-9-7-13-10(2,3)14-9/h4-5,9H,6-7H2,1-3H3/b5-4+/t9-/m0/s1
InChIKeyDDBBNQPBZLVQHR-MOVJSRMASA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
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 [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
The IUPAC name of [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate (CID 135315549) is [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate is CC(=O)OC/C=C/[C@H]1COC(C)(C)O1.
What is the InChIKey of [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
The InChIKey is DDBBNQPBZLVQHR-MOVJSRMASA-N. The full InChI is InChI=1S/C10H16O4/c1-8(11)12-6-4-5-9-7-13-10(2,3)14-9/h4-5,9H,6-7H2,1-3H3/b5-4+/t9-/m0/s1.
What are the key properties of [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate is sourced from PubChem (CID 135315549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).