(2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate

C10H16O4 — CID 15012344

IUPAC(2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate
SMILESC=CCCC1(COC(C)=O)OCCO1
InChIInChI=1S/C10H16O4/c1-3-4-5-10(8-12-9(2)11)13-6-7-14-10/h3H,1,4-8H2,2H3
InChIKeySBUSOFYFPXNXHQ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds5

About (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate

(2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate (PubChem CID 15012344) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate.

Molecular Properties

Compound Name(2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate
PubChem CID15012344
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate
SMILESC=CCCC1(COC(C)=O)OCCO1
InChIInChI=1S/C10H16O4/c1-3-4-5-10(8-12-9(2)11)13-6-7-14-10/h3H,1,4-8H2,2H3
InChIKeySBUSOFYFPXNXHQ-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate?
The IUPAC name of (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate (CID 15012344) is (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate.
What is the SMILES notation for (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate?
The canonical SMILES for (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate is C=CCCC1(COC(C)=O)OCCO1.
What is the InChIKey of (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate?
The InChIKey is SBUSOFYFPXNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-4-5-10(8-12-9(2)11)13-6-7-14-10/h3H,1,4-8H2,2H3.
What are the key properties of (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate?
(2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-enyl-1,3-dioxolan-2-yl)methyl acetate is sourced from PubChem (CID 15012344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).