2-(2,2-dimethylpentoxymethyl)oxirane

C10H20O2 — CID 135258410

IUPAC2-(2,2-dimethylpentoxymethyl)oxirane
SMILESCCCC(C)(C)COCC1CO1
InChIInChI=1S/C10H20O2/c1-4-5-10(2,3)8-11-6-9-7-12-9/h9H,4-8H2,1-3H3
InChIKeyPDSGHVSDSBSCGF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds6

About 2-(2,2-dimethylpentoxymethyl)oxirane

2-(2,2-dimethylpentoxymethyl)oxirane (PubChem CID 135258410) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpentoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2,2-dimethylpentoxymethyl)oxirane
PubChem CID135258410
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(2,2-dimethylpentoxymethyl)oxirane
SMILESCCCC(C)(C)COCC1CO1
InChIInChI=1S/C10H20O2/c1-4-5-10(2,3)8-11-6-9-7-12-9/h9H,4-8H2,1-3H3
InChIKeyPDSGHVSDSBSCGF-UHFFFAOYSA-N
XLogP2.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpentoxymethyl)oxirane?
The IUPAC name of 2-(2,2-dimethylpentoxymethyl)oxirane (CID 135258410) is 2-(2,2-dimethylpentoxymethyl)oxirane.
What is the SMILES notation for 2-(2,2-dimethylpentoxymethyl)oxirane?
The canonical SMILES for 2-(2,2-dimethylpentoxymethyl)oxirane is CCCC(C)(C)COCC1CO1.
What is the InChIKey of 2-(2,2-dimethylpentoxymethyl)oxirane?
The InChIKey is PDSGHVSDSBSCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-10(2,3)8-11-6-9-7-12-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpentoxymethyl)oxirane?
2-(2,2-dimethylpentoxymethyl)oxirane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpentoxymethyl)oxirane is sourced from PubChem (CID 135258410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).