2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane

C7H12O — CID 134973856

IUPAC2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane
SMILESC/C=C\C1OC1(C)C
InChIInChI=1S/C7H12O/c1-4-5-6-7(2,3)8-6/h4-6H,1-3H3/b5-4-
InChIKeyZFDOPAYZDJVXDT-PLNGDYQASA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds1

About 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane

2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane (PubChem CID 134973856) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane
PubChem CID134973856
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane
SMILESC/C=C\C1OC1(C)C
InChIInChI=1S/C7H12O/c1-4-5-6-7(2,3)8-6/h4-6H,1-3H3/b5-4-
InChIKeyZFDOPAYZDJVXDT-PLNGDYQASA-N
XLogP1.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
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'}

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Related Compounds

2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
CID 73354150
2-(2-(3,3-Dimethyloxiranyl)vinyl)-2,3-dimethyloxirane
CID 6010275
Ponticaepoxide
CID 157010040
7-Oxabicyclo(4.1.0)hepta-2,4-diene, 1-vinyl-
CID 149629
7-Oxabicyclo[4.1.0]hepta-2,4-diene, 1-methyl-
CID 10240782
2-Propan-2-yl-2,5-dihydrofuran
CID 12507024
6,6-Dimethyldihydropyran
CID 12507028
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
Oxirane, 2-[2-(3,3-dimethyloxiranyl)ethenyl]-2,3-dimethyl-
CID 107168
6-Ethyl-2,6-dimethyl-2,3-dihydropyran
CID 12507029
2-(1-Propenyl)oxirane
CID 12210527
2H-Pyran, 3,6-dihydro-2-methyl-
CID 12292645

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane?
The IUPAC name of 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane (CID 134973856) is 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane.
What is the SMILES notation for 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane?
The canonical SMILES for 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane is C/C=C\C1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane?
The InChIKey is ZFDOPAYZDJVXDT-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12O/c1-4-5-6-7(2,3)8-6/h4-6H,1-3H3/b5-4-.
What are the key properties of 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane?
2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane is sourced from PubChem (CID 134973856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).