4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one

C10H16O3 — CID 90328921

IUPAC4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one
SMILESC=C(C)C1OC(=O)OC1C(C)CC
InChIInChI=1S/C10H16O3/c1-5-7(4)9-8(6(2)3)12-10(11)13-9/h7-9H,2,5H2,1,3-4H3
InChIKeyNRXJOCBEJZXXQB-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.51
Rot. Bonds3

About 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one

4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one (PubChem CID 90328921) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one
PubChem CID90328921
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one
SMILESC=C(C)C1OC(=O)OC1C(C)CC
InChIInChI=1S/C10H16O3/c1-5-7(4)9-8(6(2)3)12-10(11)13-9/h7-9H,2,5H2,1,3-4H3
InChIKeyNRXJOCBEJZXXQB-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
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 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one?
The IUPAC name of 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one (CID 90328921) is 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one?
The canonical SMILES for 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one is C=C(C)C1OC(=O)OC1C(C)CC.
What is the InChIKey of 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one?
The InChIKey is NRXJOCBEJZXXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7(4)9-8(6(2)3)12-10(11)13-9/h7-9H,2,5H2,1,3-4H3.
What are the key properties of 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one?
4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-prop-1-en-2-yl-1,3-dioxolan-2-one is sourced from PubChem (CID 90328921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).