2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane

C10H14O2 — CID 71324070

IUPAC2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC#CCCC1(C(=C)C)OCCO1
InChIInChI=1S/C10H14O2/c1-4-5-6-10(9(2)3)11-7-8-12-10/h1H,2,5-8H2,3H3
InChIKeyDYMTZUJTJPJRPD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds3

About 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane

2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 71324070) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane
PubChem CID71324070
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC#CCCC1(C(=C)C)OCCO1
InChIInChI=1S/C10H14O2/c1-4-5-6-10(9(2)3)11-7-8-12-10/h1H,2,5-8H2,3H3
InChIKeyDYMTZUJTJPJRPD-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane (CID 71324070) is 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane is C#CCCC1(C(=C)C)OCCO1.
What is the InChIKey of 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is DYMTZUJTJPJRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-5-6-10(9(2)3)11-7-8-12-10/h1H,2,5-8H2,3H3.
What are the key properties of 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane?
2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 166.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-2-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 71324070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).