2,2,3,3,4,4,5-heptamethyl-6-phenylpyran

C18H26O — CID 20652960

IUPAC2,2,3,3,4,4,5-heptamethyl-6-phenylpyran
SMILESCC1=C(c2ccccc2)OC(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C18H26O/c1-13-15(14-11-9-8-10-12-14)19-18(6,7)17(4,5)16(13,2)3/h8-12H,1-7H3
InChIKeyZBTSNXDBVFNSGH-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.28
Rot. Bonds1

About 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran

2,2,3,3,4,4,5-heptamethyl-6-phenylpyran (PubChem CID 20652960) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptamethyl-6-phenylpyran
PubChem CID20652960
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2,2,3,3,4,4,5-heptamethyl-6-phenylpyran
SMILESCC1=C(c2ccccc2)OC(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C18H26O/c1-13-15(14-11-9-8-10-12-14)19-18(6,7)17(4,5)16(13,2)3/h8-12H,1-7H3
InChIKeyZBTSNXDBVFNSGH-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran?
The IUPAC name of 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran (CID 20652960) is 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran.
What is the SMILES notation for 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran?
The canonical SMILES for 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran is CC1=C(c2ccccc2)OC(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran?
The InChIKey is ZBTSNXDBVFNSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-13-15(14-11-9-8-10-12-14)19-18(6,7)17(4,5)16(13,2)3/h8-12H,1-7H3.
What are the key properties of 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran?
2,2,3,3,4,4,5-heptamethyl-6-phenylpyran has a molecular weight of 258.40 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptamethyl-6-phenylpyran is sourced from PubChem (CID 20652960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).