2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane

C10H14O — CID 134895780

IUPAC2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane
SMILESC#CC1(CCC)OC1C(=C)C
InChIInChI=1S/C10H14O/c1-5-7-10(6-2)9(11-10)8(3)4/h2,9H,3,5,7H2,1,4H3
InChIKeyGMZRXRSSUKOLLJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.13
Rot. Bonds3

About 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane

2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane (PubChem CID 134895780) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane.

Molecular Properties

Compound Name2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane
PubChem CID134895780
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane
SMILESC#CC1(CCC)OC1C(=C)C
InChIInChI=1S/C10H14O/c1-5-7-10(6-2)9(11-10)8(3)4/h2,9H,3,5,7H2,1,4H3
InChIKeyGMZRXRSSUKOLLJ-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Tert-butyl-2-ethynyl-3-prop-1-en-2-yloxirane
CID 73064509
2-Butyl-3-ethenyl-2-ethynyloxirane
CID 73834603
2-Ethynyl-2-methyl-3-prop-1-en-2-yloxirane
CID 134863894
2-Ethynyl-3-(4-methylpent-1-en-2-yl)-2-propyloxirane
CID 134880140
2-Ethynyl-2-hexyl-3-prop-1-en-2-yloxirane
CID 134895715
3-But-1-en-2-yl-2-tert-butyl-2-ethynyloxirane
CID 134895747
2-Butyl-2-ethynyl-3-prop-1-en-2-yloxirane
CID 134895785
2-But-1-en-2-yl-2,3-dimethyloxirane
CID 132080471
2-Methyl-2,3-bis(prop-1-en-2-yl)oxirane
CID 139691772
(2S,3R)-2-tert-butyl-2-ethynyl-3-prop-1-en-2-yloxirane
CID 11693955
(2S,3S)-2-butyl-3-ethenyl-2-ethynyloxirane
CID 21771020
(2R,3S)-2-butyl-3-ethenyl-2-ethynyloxirane
CID 21771021

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane?
The IUPAC name of 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane (CID 134895780) is 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane.
What is the SMILES notation for 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane?
The canonical SMILES for 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane is C#CC1(CCC)OC1C(=C)C.
What is the InChIKey of 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane?
The InChIKey is GMZRXRSSUKOLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-5-7-10(6-2)9(11-10)8(3)4/h2,9H,3,5,7H2,1,4H3.
What are the key properties of 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane?
2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane has a molecular weight of 150.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-3-prop-1-en-2-yl-2-propyloxirane is sourced from PubChem (CID 134895780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).