2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane

C11H20O2 — CID 59773868

IUPAC2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane
SMILESCCC(CCC1OC1(C)C)C1CO1
InChIInChI=1S/C11H20O2/c1-4-8(9-7-12-9)5-6-10-11(2,3)13-10/h8-10H,4-7H2,1-3H3
InChIKeyCYBHEUIMLYORAN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds5

About 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane

2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane (PubChem CID 59773868) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane
PubChem CID59773868
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane
SMILESCCC(CCC1OC1(C)C)C1CO1
InChIInChI=1S/C11H20O2/c1-4-8(9-7-12-9)5-6-10-11(2,3)13-10/h8-10H,4-7H2,1-3H3
InChIKeyCYBHEUIMLYORAN-UHFFFAOYSA-N
XLogP2.37
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.37
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-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane?
The IUPAC name of 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane (CID 59773868) is 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane.
What is the SMILES notation for 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane?
The canonical SMILES for 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane is CCC(CCC1OC1(C)C)C1CO1.
What is the InChIKey of 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane?
The InChIKey is CYBHEUIMLYORAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-8(9-7-12-9)5-6-10-11(2,3)13-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane?
2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane is sourced from PubChem (CID 59773868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).