4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran

C24H38O2 — CID 91727305

IUPAC4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran
SMILESCCCC1=CC(C)(C2(C)C=C(CCC)OC(CCC)=C2)C=C(CCC)O1
InChIInChI=1S/C24H38O2/c1-7-11-19-15-23(5,16-20(25-19)12-8-2)24(6)17-21(13-9-3)26-22(18-24)14-10-4/h15-18H,7-14H2,1-6H3
InChIKeyCDUWYNXGTPCVIR-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.80
Rot. Bonds9

About 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran

4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran (PubChem CID 91727305) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran.

Molecular Properties

Compound Name4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran
PubChem CID91727305
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran
SMILESCCCC1=CC(C)(C2(C)C=C(CCC)OC(CCC)=C2)C=C(CCC)O1
InChIInChI=1S/C24H38O2/c1-7-11-19-15-23(5,16-20(25-19)12-8-2)24(6)17-21(13-9-3)26-22(18-24)14-10-4/h15-18H,7-14H2,1-6H3
InChIKeyCDUWYNXGTPCVIR-UHFFFAOYSA-N
XLogP7.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2',4,4',6,6'-hexamethyl-4H,4'H-4,4'-bipyran
CID 5257441
2,2',6,6'-tetra-tert-butyl-4,4'-dimethyl-4H,4'H-4,4'-bipyran
CID 91733952
2,4,6-Tri-t-butyl-4h-pyran
CID 12347769
2,4-ditert-butyl-6-methyl-4H-pyran
CID 20764461
(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene
CID 88509905
(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene
CID 89324738
4-(5,5-Dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene
CID 173371773
2-(5,5-Dimethylhex-2-en-2-yloxy)-5,5-dimethylhex-2-ene
CID 173423104
4-(2,2-Dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene
CID 176899565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran?
The IUPAC name of 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran (CID 91727305) is 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran.
What is the SMILES notation for 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran?
The canonical SMILES for 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran is CCCC1=CC(C)(C2(C)C=C(CCC)OC(CCC)=C2)C=C(CCC)O1.
What is the InChIKey of 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran?
The InChIKey is CDUWYNXGTPCVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-7-11-19-15-23(5,16-20(25-19)12-8-2)24(6)17-21(13-9-3)26-22(18-24)14-10-4/h15-18H,7-14H2,1-6H3.
What are the key properties of 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran?
4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran has a molecular weight of 358.57 g/mol, XLogP of 7.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-methyl-2,6-dipropylpyran-4-yl)-2,6-dipropylpyran is sourced from PubChem (CID 91727305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).