5-(2,2-dimethylpropyl)-2,3-dihydrofuran

C9H16O — CID 88974652

IUPAC5-(2,2-dimethylpropyl)-2,3-dihydrofuran
SMILESCC(C)(C)CC1=CCCO1
InChIInChI=1S/C9H16O/c1-9(2,3)7-8-5-4-6-10-8/h5H,4,6-7H2,1-3H3
InChIKeyZCCWGTHGIZVMAP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2,3-dihydrofuran

5-(2,2-dimethylpropyl)-2,3-dihydrofuran (PubChem CID 88974652) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2,3-dihydrofuran
PubChem CID88974652
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name5-(2,2-dimethylpropyl)-2,3-dihydrofuran
SMILESCC(C)(C)CC1=CCCO1
InChIInChI=1S/C9H16O/c1-9(2,3)7-8-5-4-6-10-8/h5H,4,6-7H2,1-3H3
InChIKeyZCCWGTHGIZVMAP-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2,3-dihydrofuran?
The IUPAC name of 5-(2,2-dimethylpropyl)-2,3-dihydrofuran (CID 88974652) is 5-(2,2-dimethylpropyl)-2,3-dihydrofuran.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2,3-dihydrofuran?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2,3-dihydrofuran is CC(C)(C)CC1=CCCO1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2,3-dihydrofuran?
The InChIKey is ZCCWGTHGIZVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2,3)7-8-5-4-6-10-8/h5H,4,6-7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2,3-dihydrofuran?
5-(2,2-dimethylpropyl)-2,3-dihydrofuran has a molecular weight of 140.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2,3-dihydrofuran is sourced from PubChem (CID 88974652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).