2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran

C9H14O — CID 88993574

IUPAC2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran
SMILESC=C(C)C1C=C(C)OC1C
InChIInChI=1S/C9H14O/c1-6(2)9-5-7(3)10-8(9)4/h5,8-9H,1H2,2-4H3
InChIKeyOVOGEQRTVDGSOD-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds1

About 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran

2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran (PubChem CID 88993574) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran.

Molecular Properties

Compound Name2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran
PubChem CID88993574
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran
SMILESC=C(C)C1C=C(C)OC1C
InChIInChI=1S/C9H14O/c1-6(2)9-5-7(3)10-8(9)4/h5,8-9H,1H2,2-4H3
InChIKeyOVOGEQRTVDGSOD-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
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 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran?
The IUPAC name of 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran (CID 88993574) is 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran.
What is the SMILES notation for 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran?
The canonical SMILES for 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran is C=C(C)C1C=C(C)OC1C.
What is the InChIKey of 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran?
The InChIKey is OVOGEQRTVDGSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-6(2)9-5-7(3)10-8(9)4/h5,8-9H,1H2,2-4H3.
What are the key properties of 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran?
2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran has a molecular weight of 138.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-prop-1-en-2-yl-2,3-dihydrofuran is sourced from PubChem (CID 88993574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).