7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene

C24H28OSe — CID 141078996

IUPAC7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene
SMILESC#C[Se]c1cc(OCc2ccc(C)cc2)c2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28OSe/c1-7-26-19-14-20-22(24(5,6)13-12-23(20,3)4)21(15-19)25-16-18-10-8-17(2)9-11-18/h1,8-11,14-15H,12-13,16H2,2-6H3
InChIKeyWDPGLWHXOBFOFI-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.84
Rot. Bonds4

About 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene

7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene (PubChem CID 141078996) has the molecular formula C24H28OSe and a molecular weight of 411.45 g/mol. Its IUPAC name is 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene
PubChem CID141078996
Molecular FormulaC24H28OSe
Molecular Weight411.45 g/mol
Exact Mass412.13
IUPAC Name7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene
SMILESC#C[Se]c1cc(OCc2ccc(C)cc2)c2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28OSe/c1-7-26-19-14-20-22(24(5,6)13-12-23(20,3)4)21(15-19)25-16-18-10-8-17(2)9-11-18/h1,8-11,14-15H,12-13,16H2,2-6H3
InChIKeyWDPGLWHXOBFOFI-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene 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 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene?
The IUPAC name of 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene (CID 141078996) is 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene.
What is the SMILES notation for 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene?
The canonical SMILES for 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene is C#C[Se]c1cc(OCc2ccc(C)cc2)c2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene?
The InChIKey is WDPGLWHXOBFOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28OSe/c1-7-26-19-14-20-22(24(5,6)13-12-23(20,3)4)21(15-19)25-16-18-10-8-17(2)9-11-18/h1,8-11,14-15H,12-13,16H2,2-6H3.
What are the key properties of 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene?
7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene has a molecular weight of 411.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynylselanyl-1,1,4,4-tetramethyl-5-[(4-methylphenyl)methoxy]-2,3-dihydronaphthalene is sourced from PubChem (CID 141078996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).