2-(2,2-dimethylpent-4-enyl)-2-methyloxirane

C10H18O — CID 22712641

IUPAC2-(2,2-dimethylpent-4-enyl)-2-methyloxirane
SMILESC=CCC(C)(C)CC1(C)CO1
InChIInChI=1S/C10H18O/c1-5-6-9(2,3)7-10(4)8-11-10/h5H,1,6-8H2,2-4H3
InChIKeyHWYDQIOFBPGPDV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds4

About 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane

2-(2,2-dimethylpent-4-enyl)-2-methyloxirane (PubChem CID 22712641) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(2,2-dimethylpent-4-enyl)-2-methyloxirane
PubChem CID22712641
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(2,2-dimethylpent-4-enyl)-2-methyloxirane
SMILESC=CCC(C)(C)CC1(C)CO1
InChIInChI=1S/C10H18O/c1-5-6-9(2,3)7-10(4)8-11-10/h5H,1,6-8H2,2-4H3
InChIKeyHWYDQIOFBPGPDV-UHFFFAOYSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane?
The IUPAC name of 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane (CID 22712641) is 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane.
What is the SMILES notation for 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane?
The canonical SMILES for 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane is C=CCC(C)(C)CC1(C)CO1.
What is the InChIKey of 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane?
The InChIKey is HWYDQIOFBPGPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-9(2,3)7-10(4)8-11-10/h5H,1,6-8H2,2-4H3.
What are the key properties of 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane?
2-(2,2-dimethylpent-4-enyl)-2-methyloxirane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpent-4-enyl)-2-methyloxirane is sourced from PubChem (CID 22712641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).