5-propan-2-yl-3,6-dihydro-2H-pyran

C8H14O — CID 58547544

IUPAC5-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC(C)C1=CCCOC1
InChIInChI=1S/C8H14O/c1-7(2)8-4-3-5-9-6-8/h4,7H,3,5-6H2,1-2H3
InChIKeyODZGSKBHRLGGDY-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 5-propan-2-yl-3,6-dihydro-2H-pyran

5-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 58547544) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID58547544
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC(C)C1=CCCOC1
InChIInChI=1S/C8H14O/c1-7(2)8-4-3-5-9-6-8/h4,7H,3,5-6H2,1-2H3
InChIKeyODZGSKBHRLGGDY-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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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of 5-propan-2-yl-3,6-dihydro-2H-pyran (CID 58547544) is 5-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-propan-2-yl-3,6-dihydro-2H-pyran is CC(C)C1=CCCOC1.
What is the InChIKey of 5-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is ODZGSKBHRLGGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)8-4-3-5-9-6-8/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,6-dihydro-2H-pyran?
5-propan-2-yl-3,6-dihydro-2H-pyran 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 5-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 58547544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).