4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane

C14H22O2 — CID 161162593

IUPAC4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane
SMILESCC(C)(C)C(c1ccco1)C1CCOCC1
InChIInChI=1S/C14H22O2/c1-14(2,3)13(12-5-4-8-16-12)11-6-9-15-10-7-11/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeyCJKCPZRHFRXPPX-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.84
Rot. Bonds2

About 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane

4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane (PubChem CID 161162593) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane.

Molecular Properties

Compound Name4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane
PubChem CID161162593
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane
SMILESCC(C)(C)C(c1ccco1)C1CCOCC1
InChIInChI=1S/C14H22O2/c1-14(2,3)13(12-5-4-8-16-12)11-6-9-15-10-7-11/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeyCJKCPZRHFRXPPX-UHFFFAOYSA-N
XLogP3.84
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane?
The IUPAC name of 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane (CID 161162593) is 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane.
What is the SMILES notation for 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane?
The canonical SMILES for 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane is CC(C)(C)C(c1ccco1)C1CCOCC1.
What is the InChIKey of 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane?
The InChIKey is CJKCPZRHFRXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,3)13(12-5-4-8-16-12)11-6-9-15-10-7-11/h4-5,8,11,13H,6-7,9-10H2,1-3H3.
What are the key properties of 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane?
4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane has a molecular weight of 222.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane is sourced from PubChem (CID 161162593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).