2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane

C11H20O2 — CID 126653744

IUPAC2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane
SMILESC=C(OCCC1CO1)C(C)(C)CC
InChIInChI=1S/C11H20O2/c1-5-11(3,4)9(2)12-7-6-10-8-13-10/h10H,2,5-8H2,1,3-4H3
InChIKeyKGMCIZCJCWVAGO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds6

About 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane

2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane (PubChem CID 126653744) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane
PubChem CID126653744
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane
SMILESC=C(OCCC1CO1)C(C)(C)CC
InChIInChI=1S/C11H20O2/c1-5-11(3,4)9(2)12-7-6-10-8-13-10/h10H,2,5-8H2,1,3-4H3
InChIKeyKGMCIZCJCWVAGO-UHFFFAOYSA-N
XLogP2.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane?
The IUPAC name of 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane (CID 126653744) is 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane.
What is the SMILES notation for 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane?
The canonical SMILES for 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane is C=C(OCCC1CO1)C(C)(C)CC.
What is the InChIKey of 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane?
The InChIKey is KGMCIZCJCWVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(3,4)9(2)12-7-6-10-8-13-10/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane?
2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylpent-1-en-2-yloxy)ethyl]oxirane is sourced from PubChem (CID 126653744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).