4-propan-2-yl-3,4-dihydro-2H-pyran

C8H14O — CID 58548469

IUPAC4-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1C=COCC1
InChIInChI=1S/C8H14O/c1-7(2)8-3-5-9-6-4-8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyKMMPLVCUWMIHPZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.19
Rot. Bonds1

About 4-propan-2-yl-3,4-dihydro-2H-pyran

4-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 58548469) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID58548469
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1C=COCC1
InChIInChI=1S/C8H14O/c1-7(2)8-3-5-9-6-4-8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyKMMPLVCUWMIHPZ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 4-propan-2-yl-3,4-dihydro-2H-pyran (CID 58548469) is 4-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 4-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 4-propan-2-yl-3,4-dihydro-2H-pyran is CC(C)C1C=COCC1.
What is the InChIKey of 4-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is KMMPLVCUWMIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)8-3-5-9-6-4-8/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 4-propan-2-yl-3,4-dihydro-2H-pyran?
4-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 58548469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).