2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran

C9H16O3 — CID 45096540

IUPAC2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran
SMILESCOC1C=C(C(C)C)C(OC)O1
InChIInChI=1S/C9H16O3/c1-6(2)7-5-8(10-3)12-9(7)11-4/h5-6,8-9H,1-4H3
InChIKeyBXWYQBPTPGBNNX-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.54
Rot. Bonds3

About 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran

2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran (PubChem CID 45096540) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran
PubChem CID45096540
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran
SMILESCOC1C=C(C(C)C)C(OC)O1
InChIInChI=1S/C9H16O3/c1-6(2)7-5-8(10-3)12-9(7)11-4/h5-6,8-9H,1-4H3
InChIKeyBXWYQBPTPGBNNX-UHFFFAOYSA-N
XLogP1.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran (CID 45096540) is 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran is COC1C=C(C(C)C)C(OC)O1.
What is the InChIKey of 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran?
The InChIKey is BXWYQBPTPGBNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(2)7-5-8(10-3)12-9(7)11-4/h5-6,8-9H,1-4H3.
What are the key properties of 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran?
2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran has a molecular weight of 172.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 45096540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).