4-methyl-2-propan-2-yl-2,5-dihydrofuran

C8H14O — CID 14974563

IUPAC4-methyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCC1=CC(C(C)C)OC1
InChIInChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h4,6,8H,5H2,1-3H3
InChIKeyQPFHVCVFXLUKER-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 4-methyl-2-propan-2-yl-2,5-dihydrofuran

4-methyl-2-propan-2-yl-2,5-dihydrofuran (PubChem CID 14974563) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-2,5-dihydrofuran
PubChem CID14974563
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCC1=CC(C(C)C)OC1
InChIInChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h4,6,8H,5H2,1-3H3
InChIKeyQPFHVCVFXLUKER-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600447
(2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600448
2H-Pyran, 5,6-dihydro-4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-
CID 103463
Furan, 2,5-dihydro-2,2,4-trimethyl-
CID 566136
2-Propan-2-yl-2,5-dihydrofuran
CID 12507024
2-(2-Methylprop-1-enyl)tetrahydrofuran
CID 12735917
5-Isopropenyl-3-isopropyl-2,2-dimethyl-2,5-dihydrofuran
CID 596568
3-Methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 11019056
4-Methyl-2-propyl-2,5-dihydrofuran
CID 12507022
5,5-dimethyl-2-propan-2-yl-2H-furan
CID 12507023
2,3-Dimethyl-4-prop-2-enyl-2,5-dihydrofuran
CID 15892524
2,2,5-Trimethyl-3,6-dihydropyran
CID 129792030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 4-methyl-2-propan-2-yl-2,5-dihydrofuran (CID 14974563) is 4-methyl-2-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 4-methyl-2-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 4-methyl-2-propan-2-yl-2,5-dihydrofuran is CC1=CC(C(C)C)OC1.
What is the InChIKey of 4-methyl-2-propan-2-yl-2,5-dihydrofuran?
The InChIKey is QPFHVCVFXLUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h4,6,8H,5H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-2,5-dihydrofuran?
4-methyl-2-propan-2-yl-2,5-dihydrofuran has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 14974563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).