1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol

C14H24O3 — CID 155481572

IUPAC1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(C(O)C(C)(C)C)o1
InChIInChI=1S/C14H24O3/c1-13(2,3)11(15)9-7-8-10(17-9)12(16)14(4,5)6/h7-8,11-12,15-16H,1-6H3
InChIKeyNTNCFIRSTIEYAQ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.44
Rot. Bonds2

About 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol

1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 155481572) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID155481572
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(C(O)C(C)(C)C)o1
InChIInChI=1S/C14H24O3/c1-13(2,3)11(15)9-7-8-10(17-9)12(16)14(4,5)6/h7-8,11-12,15-16H,1-6H3
InChIKeyNTNCFIRSTIEYAQ-UHFFFAOYSA-N
XLogP3.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol (CID 155481572) is 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1ccc(C(O)C(C)(C)C)o1.
What is the InChIKey of 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is NTNCFIRSTIEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-13(2,3)11(15)9-7-8-10(17-9)12(16)14(4,5)6/h7-8,11-12,15-16H,1-6H3.
What are the key properties of 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol?
1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 240.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 155481572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).