2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan

C12H18O2 — CID 58640585

IUPAC2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan
SMILESCC(C)C1OC(c2ccco2)C1(C)C
InChIInChI=1S/C12H18O2/c1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9/h5-8,10-11H,1-4H3
InChIKeyKHYZMBFMGJODFE-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.40
Rot. Bonds2

About 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan

2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan (PubChem CID 58640585) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan.

Molecular Properties

Compound Name2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan
PubChem CID58640585
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan
SMILESCC(C)C1OC(c2ccco2)C1(C)C
InChIInChI=1S/C12H18O2/c1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9/h5-8,10-11H,1-4H3
InChIKeyKHYZMBFMGJODFE-UHFFFAOYSA-N
XLogP3.40
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan?
The IUPAC name of 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan (CID 58640585) is 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan.
What is the SMILES notation for 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan?
The canonical SMILES for 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan is CC(C)C1OC(c2ccco2)C1(C)C.
What is the InChIKey of 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan?
The InChIKey is KHYZMBFMGJODFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)10-12(3,4)11(14-10)9-6-5-7-13-9/h5-8,10-11H,1-4H3.
What are the key properties of 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan?
2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan has a molecular weight of 194.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan is sourced from PubChem (CID 58640585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).