4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan

C15H26O — CID 20795799

IUPAC4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan
SMILESCC(C)c1coc(C(C(C)C)C(C)(C)C)c1
InChIInChI=1S/C15H26O/c1-10(2)12-8-13(16-9-12)14(11(3)4)15(5,6)7/h8-11,14H,1-7H3
InChIKeyKDQSDEGJKJRMHV-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.19
Rot. Bonds3

About 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan

4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan (PubChem CID 20795799) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan
PubChem CID20795799
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan
SMILESCC(C)c1coc(C(C(C)C)C(C)(C)C)c1
InChIInChI=1S/C15H26O/c1-10(2)12-8-13(16-9-12)14(11(3)4)15(5,6)7/h8-11,14H,1-7H3
InChIKeyKDQSDEGJKJRMHV-UHFFFAOYSA-N
XLogP5.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan?
The IUPAC name of 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan (CID 20795799) is 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan?
The canonical SMILES for 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan is CC(C)c1coc(C(C(C)C)C(C)(C)C)c1.
What is the InChIKey of 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan?
The InChIKey is KDQSDEGJKJRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)12-8-13(16-9-12)14(11(3)4)15(5,6)7/h8-11,14H,1-7H3.
What are the key properties of 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan?
4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan has a molecular weight of 222.37 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan is sourced from PubChem (CID 20795799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).