2,4-dimethyl-4-propan-2-ylpyran

C10H16O — CID 123264118

IUPAC2,4-dimethyl-4-propan-2-ylpyran
SMILESCC1=CC(C)(C(C)C)C=CO1
InChIInChI=1S/C10H16O/c1-8(2)10(4)5-6-11-9(3)7-10/h5-8H,1-4H3
InChIKeyKYJKIXOTKBWFDW-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.10
Rot. Bonds1

About 2,4-dimethyl-4-propan-2-ylpyran

2,4-dimethyl-4-propan-2-ylpyran (PubChem CID 123264118) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,4-dimethyl-4-propan-2-ylpyran.

Molecular Properties

Compound Name2,4-dimethyl-4-propan-2-ylpyran
PubChem CID123264118
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,4-dimethyl-4-propan-2-ylpyran
SMILESCC1=CC(C)(C(C)C)C=CO1
InChIInChI=1S/C10H16O/c1-8(2)10(4)5-6-11-9(3)7-10/h5-8H,1-4H3
InChIKeyKYJKIXOTKBWFDW-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyran
CID 21789782
6-isobutyl-3,4-dihydro-2H-pyran
CID 9989345
2,4,6-Tri-t-butyl-4h-pyran
CID 12347769
4-Methyl-2-(2-methylpropyl)-4h-pyran
CID 129831003
(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene
CID 135028315
(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
CID 135043198
(1E,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 10442729
(1Z,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 177393480
4,4,6-Trimethyl-2,3-dihydropyran
CID 12417685
6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran
CID 20732850
2,4-ditert-butyl-6-methyl-4H-pyran
CID 20764461
3,4,6-trimethyl-3,4-dihydro-2H-pyran
CID 20782065

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-propan-2-ylpyran?
The IUPAC name of 2,4-dimethyl-4-propan-2-ylpyran (CID 123264118) is 2,4-dimethyl-4-propan-2-ylpyran.
What is the SMILES notation for 2,4-dimethyl-4-propan-2-ylpyran?
The canonical SMILES for 2,4-dimethyl-4-propan-2-ylpyran is CC1=CC(C)(C(C)C)C=CO1.
What is the InChIKey of 2,4-dimethyl-4-propan-2-ylpyran?
The InChIKey is KYJKIXOTKBWFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10(4)5-6-11-9(3)7-10/h5-8H,1-4H3.
What are the key properties of 2,4-dimethyl-4-propan-2-ylpyran?
2,4-dimethyl-4-propan-2-ylpyran has a molecular weight of 152.24 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-propan-2-ylpyran is sourced from PubChem (CID 123264118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).