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

C12H22O — CID 11658397

IUPAC5-tert-butyl-2-methyl-5-propyl-2H-furan
SMILESCCCC1(C(C)(C)C)C=CC(C)O1
InChIInChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3
InChIKeyBWJMAXUUBRFWGV-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds2

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

5-tert-butyl-2-methyl-5-propyl-2H-furan (PubChem CID 11658397) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-5-propyl-2H-furan.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-5-propyl-2H-furan
PubChem CID11658397
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-tert-butyl-2-methyl-5-propyl-2H-furan
SMILESCCCC1(C(C)(C)C)C=CC(C)O1
InChIInChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3
InChIKeyBWJMAXUUBRFWGV-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-5-propyl-2H-furan?
The IUPAC name of 5-tert-butyl-2-methyl-5-propyl-2H-furan (CID 11658397) is 5-tert-butyl-2-methyl-5-propyl-2H-furan.
What is the SMILES notation for 5-tert-butyl-2-methyl-5-propyl-2H-furan?
The canonical SMILES for 5-tert-butyl-2-methyl-5-propyl-2H-furan is CCCC1(C(C)(C)C)C=CC(C)O1.
What is the InChIKey of 5-tert-butyl-2-methyl-5-propyl-2H-furan?
The InChIKey is BWJMAXUUBRFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3.
What are the key properties of 5-tert-butyl-2-methyl-5-propyl-2H-furan?
5-tert-butyl-2-methyl-5-propyl-2H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-5-propyl-2H-furan is sourced from PubChem (CID 11658397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).