1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene

C23H28 — CID 6436116

IUPAC1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESC/C(=C\c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28/c1-17(15-18-9-7-6-8-10-18)19-11-12-20-21(16-19)23(4,5)14-13-22(20,2)3/h6-12,15-16H,13-14H2,1-5H3/b17-15+
InChIKeyMUJQTAMVZYFLCR-BMRADRMJSA-N
MW304.48 g/mol
LogP6.60
Rot. Bonds2

About 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene (PubChem CID 6436116) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene
PubChem CID6436116
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESC/C(=C\c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28/c1-17(15-18-9-7-6-8-10-18)19-11-12-20-21(16-19)23(4,5)14-13-22(20,2)3/h6-12,15-16H,13-14H2,1-5H3/b17-15+
InChIKeyMUJQTAMVZYFLCR-BMRADRMJSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene (CID 6436116) is 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene is C/C(=C\c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene?
The InChIKey is MUJQTAMVZYFLCR-BMRADRMJSA-N. The full InChI is InChI=1S/C23H28/c1-17(15-18-9-7-6-8-10-18)19-11-12-20-21(16-19)23(4,5)14-13-22(20,2)3/h6-12,15-16H,13-14H2,1-5H3/b17-15+.
What are the key properties of 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene has a molecular weight of 304.48 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydronaphthalene is sourced from PubChem (CID 6436116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).