2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane

C11H20O3 — CID 58392032

IUPAC2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane
SMILESC=C(OCOCC1CO1)C(C)(C)CC
InChIInChI=1S/C11H20O3/c1-5-11(3,4)9(2)14-8-12-6-10-7-13-10/h10H,2,5-8H2,1,3-4H3
InChIKeyGXYFXMFRKZVFOI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.33
Rot. Bonds7

About 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane

2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane (PubChem CID 58392032) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane
PubChem CID58392032
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane
SMILESC=C(OCOCC1CO1)C(C)(C)CC
InChIInChI=1S/C11H20O3/c1-5-11(3,4)9(2)14-8-12-6-10-7-13-10/h10H,2,5-8H2,1,3-4H3
InChIKeyGXYFXMFRKZVFOI-UHFFFAOYSA-N
XLogP2.33
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane?
The IUPAC name of 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane (CID 58392032) is 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane.
What is the SMILES notation for 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane?
The canonical SMILES for 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane is C=C(OCOCC1CO1)C(C)(C)CC.
What is the InChIKey of 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane?
The InChIKey is GXYFXMFRKZVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-11(3,4)9(2)14-8-12-6-10-7-13-10/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane?
2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane has a molecular weight of 200.28 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpent-1-en-2-yloxymethoxymethyl)oxirane is sourced from PubChem (CID 58392032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).