2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran

C10H14O2 — CID 6428926

IUPAC2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran
SMILESCc1ccoc1CC1OC1(C)C
InChIInChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3
InChIKeyBVTAIXWVSMPSFL-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.31
Rot. Bonds2

About 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran

2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran (PubChem CID 6428926) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran
PubChem CID6428926
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran
SMILESCc1ccoc1CC1OC1(C)C
InChIInChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3
InChIKeyBVTAIXWVSMPSFL-UHFFFAOYSA-N
XLogP2.31
TPSA25.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.31
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-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran?
The IUPAC name of 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran (CID 6428926) is 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran?
The canonical SMILES for 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran is Cc1ccoc1CC1OC1(C)C.
What is the InChIKey of 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran?
The InChIKey is BVTAIXWVSMPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3.
What are the key properties of 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran?
2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran has a molecular weight of 166.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran is sourced from PubChem (CID 6428926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).