5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan

C10H18O2 — CID 15398670

IUPAC5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan
SMILESCC(C)OCC1=CC(C)(C)OC1
InChIInChI=1S/C10H18O2/c1-8(2)11-6-9-5-10(3,4)12-7-9/h5,8H,6-7H2,1-4H3
InChIKeyLEVFTUMPRAMZDQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds3

About 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan

5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan (PubChem CID 15398670) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan
PubChem CID15398670
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan
SMILESCC(C)OCC1=CC(C)(C)OC1
InChIInChI=1S/C10H18O2/c1-8(2)11-6-9-5-10(3,4)12-7-9/h5,8H,6-7H2,1-4H3
InChIKeyLEVFTUMPRAMZDQ-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
Furan, 2,5-dihydro-2,2,4-trimethyl-
CID 566136
3-Methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 11019056
(2R)-2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
CID 10219468
2,3-Dimethyl-2,5-dihydrofuran
CID 11093674
(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
CID 11309546
2-(But-2-en-2-yl)-3-methyl-2,5-dihydrofuran
CID 11446369
(Z)-1-ethoxy-3-methylpent-2-ene
CID 14939545
(2R)-3-methyl-2-prop-1-en-2-yl-2,5-dihydrofuran
CID 15361420
Geraniol isopropylether
CID 21350906
3-Methyl-2-prop-1-en-2-yl-2,5-dihydrofuran
CID 22948196

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan?
The IUPAC name of 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan (CID 15398670) is 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan.
What is the SMILES notation for 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan?
The canonical SMILES for 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan is CC(C)OCC1=CC(C)(C)OC1.
What is the InChIKey of 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan?
The InChIKey is LEVFTUMPRAMZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)11-6-9-5-10(3,4)12-7-9/h5,8H,6-7H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan?
5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan has a molecular weight of 170.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(propan-2-yloxymethyl)-2H-furan is sourced from PubChem (CID 15398670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).