3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane

C10H12O — CID 134992626

IUPAC3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane
SMILESC#CC1OC1(/C=C/C)/C=C/C
InChIInChI=1S/C10H12O/c1-4-7-10(8-5-2)9(6-3)11-10/h3-5,7-9H,1-2H3/b7-4+,8-5+
InChIKeyZKBVRPCKCJVUKT-NSLJXJERSA-N
MW148.20 g/mol
LogP1.91
Rot. Bonds2

About 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane

3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane (PubChem CID 134992626) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane.

Molecular Properties

Compound Name3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane
PubChem CID134992626
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane
SMILESC#CC1OC1(/C=C/C)/C=C/C
InChIInChI=1S/C10H12O/c1-4-7-10(8-5-2)9(6-3)11-10/h3-5,7-9H,1-2H3/b7-4+,8-5+
InChIKeyZKBVRPCKCJVUKT-NSLJXJERSA-N
XLogP1.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.91
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-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
CID 73354150
Ponticaepoxide
CID 157010040
2,2-Dimethyl-3-(2-methylprop-1-enyl)oxirane
CID 12553881
(2R,3S)-2-ethenyl-3-non-1-en-3,5,7-triynyloxirane
CID 163102684
2-Ethenyl-3-(non-1-ene-3,5,7-triyn-1-yl)oxirane
CID 71360874
(3R)-2-ethynyl-3-[(E)-pent-1-enyl]oxirane
CID 101161138
2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane
CID 134973856
2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane
CID 134993019
(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
CID 102368592
(2R,3S)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
CID 163102685
(2R,3R)-3-ethyl-2-methyl-2-[(E)-prop-1-enyl]oxirane
CID 59875216
2-[(E)-3-methoxy-3-methylbut-1-enyl]-3-methyloxirane
CID 59875234

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane?
The IUPAC name of 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane (CID 134992626) is 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane.
What is the SMILES notation for 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane?
The canonical SMILES for 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane is C#CC1OC1(/C=C/C)/C=C/C.
What is the InChIKey of 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane?
The InChIKey is ZKBVRPCKCJVUKT-NSLJXJERSA-N. The full InChI is InChI=1S/C10H12O/c1-4-7-10(8-5-2)9(6-3)11-10/h3-5,7-9H,1-2H3/b7-4+,8-5+.
What are the key properties of 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane?
3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane has a molecular weight of 148.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane is sourced from PubChem (CID 134992626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).