2-propan-2-yl-2H-pyran

C8H12O — CID 58503066

IUPAC2-propan-2-yl-2H-pyran
SMILESCC(C)C1C=CC=CO1
InChIInChI=1S/C8H12O/c1-7(2)8-5-3-4-6-9-8/h3-8H,1-2H3
InChIKeyKJHBYZIFLHWFSQ-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.11
Rot. Bonds1

About 2-propan-2-yl-2H-pyran

2-propan-2-yl-2H-pyran (PubChem CID 58503066) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-propan-2-yl-2H-pyran.

Molecular Properties

Compound Name2-propan-2-yl-2H-pyran
PubChem CID58503066
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-propan-2-yl-2H-pyran
SMILESCC(C)C1C=CC=CO1
InChIInChI=1S/C8H12O/c1-7(2)8-5-3-4-6-9-8/h3-8H,1-2H3
InChIKeyKJHBYZIFLHWFSQ-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2H-pyran?
The IUPAC name of 2-propan-2-yl-2H-pyran (CID 58503066) is 2-propan-2-yl-2H-pyran.
What is the SMILES notation for 2-propan-2-yl-2H-pyran?
The canonical SMILES for 2-propan-2-yl-2H-pyran is CC(C)C1C=CC=CO1.
What is the InChIKey of 2-propan-2-yl-2H-pyran?
The InChIKey is KJHBYZIFLHWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(2)8-5-3-4-6-9-8/h3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-2H-pyran?
2-propan-2-yl-2H-pyran has a molecular weight of 124.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2H-pyran is sourced from PubChem (CID 58503066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).