2-but-3-ynyl-2-ethenyl-1,3-dioxolane

C9H12O2 — CID 15811828

IUPAC2-but-3-ynyl-2-ethenyl-1,3-dioxolane
SMILESC#CCCC1(C=C)OCCO1
InChIInChI=1S/C9H12O2/c1-3-5-6-9(4-2)10-7-8-11-9/h1,4H,2,5-8H2
InChIKeyDZQLOICNGBBUKN-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.33
Rot. Bonds3

About 2-but-3-ynyl-2-ethenyl-1,3-dioxolane

2-but-3-ynyl-2-ethenyl-1,3-dioxolane (PubChem CID 15811828) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-but-3-ynyl-2-ethenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-but-3-ynyl-2-ethenyl-1,3-dioxolane
PubChem CID15811828
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-but-3-ynyl-2-ethenyl-1,3-dioxolane
SMILESC#CCCC1(C=C)OCCO1
InChIInChI=1S/C9H12O2/c1-3-5-6-9(4-2)10-7-8-11-9/h1,4H,2,5-8H2
InChIKeyDZQLOICNGBBUKN-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.33
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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Related Compounds

2-(But-3-yn-1-yl)-2-(prop-1-en-2-yl)-1,3-dioxolane
CID 71324070
(4S,5R)-4-but-3-ynyl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 139249347
(4S,5S)-4-ethenyl-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolane
CID 10727751
CID 59269060
CID 59269060
CID 59269289
CID 59269289
CID 59269313
CID 59269313
2-Ethenyl-2-ethynyl-4-methyl-1,3-dioxolane
CID 59269414
CID 59269476
CID 59269476
2-Ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane
CID 89076435
2-Ethenyl-2-ethynyl-4-propan-2-yl-1,3-dioxolane
CID 89076461
2-Ethenyl-2-ethynyl-4-propyl-1,3-dioxolane
CID 89076485
(4S)-2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane
CID 89291600

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-2-ethenyl-1,3-dioxolane?
The IUPAC name of 2-but-3-ynyl-2-ethenyl-1,3-dioxolane (CID 15811828) is 2-but-3-ynyl-2-ethenyl-1,3-dioxolane.
What is the SMILES notation for 2-but-3-ynyl-2-ethenyl-1,3-dioxolane?
The canonical SMILES for 2-but-3-ynyl-2-ethenyl-1,3-dioxolane is C#CCCC1(C=C)OCCO1.
What is the InChIKey of 2-but-3-ynyl-2-ethenyl-1,3-dioxolane?
The InChIKey is DZQLOICNGBBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-5-6-9(4-2)10-7-8-11-9/h1,4H,2,5-8H2.
What are the key properties of 2-but-3-ynyl-2-ethenyl-1,3-dioxolane?
2-but-3-ynyl-2-ethenyl-1,3-dioxolane has a molecular weight of 152.19 g/mol, XLogP of 1.33, 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-ethenyl-1,3-dioxolane is sourced from PubChem (CID 15811828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).