2-tert-butyl-2-methyl-5-propyl-3H-furan

C12H22O — CID 142347245

IUPAC2-tert-butyl-2-methyl-5-propyl-3H-furan
SMILESCCCC1=CCC(C)(C(C)(C)C)O1
InChIInChI=1S/C12H22O/c1-6-7-10-8-9-12(5,13-10)11(2,3)4/h8H,6-7,9H2,1-5H3
InChIKeyLHJBIALKPCUYGF-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.90
Rot. Bonds2

About 2-tert-butyl-2-methyl-5-propyl-3H-furan

2-tert-butyl-2-methyl-5-propyl-3H-furan (PubChem CID 142347245) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-tert-butyl-2-methyl-5-propyl-3H-furan.

Molecular Properties

Compound Name2-tert-butyl-2-methyl-5-propyl-3H-furan
PubChem CID142347245
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-tert-butyl-2-methyl-5-propyl-3H-furan
SMILESCCCC1=CCC(C)(C(C)(C)C)O1
InChIInChI=1S/C12H22O/c1-6-7-10-8-9-12(5,13-10)11(2,3)4/h8H,6-7,9H2,1-5H3
InChIKeyLHJBIALKPCUYGF-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-methyl-5-propyl-3H-furan?
The IUPAC name of 2-tert-butyl-2-methyl-5-propyl-3H-furan (CID 142347245) is 2-tert-butyl-2-methyl-5-propyl-3H-furan.
What is the SMILES notation for 2-tert-butyl-2-methyl-5-propyl-3H-furan?
The canonical SMILES for 2-tert-butyl-2-methyl-5-propyl-3H-furan is CCCC1=CCC(C)(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-2-methyl-5-propyl-3H-furan?
The InChIKey is LHJBIALKPCUYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-7-10-8-9-12(5,13-10)11(2,3)4/h8H,6-7,9H2,1-5H3.
What are the key properties of 2-tert-butyl-2-methyl-5-propyl-3H-furan?
2-tert-butyl-2-methyl-5-propyl-3H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-methyl-5-propyl-3H-furan is sourced from PubChem (CID 142347245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).