4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole

C28H35NO — CID 54108231

IUPAC4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole
SMILESCC(=Cc1ccc(C2=NC(C)(C)CO2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C28H35NO/c1-19(16-20-8-10-21(11-9-20)25-29-28(6,7)18-30-25)22-12-13-23-24(17-22)27(4,5)15-14-26(23,2)3/h8-13,16-17H,14-15,18H2,1-7H3
InChIKeyNFGLQRKBYMMHHQ-UHFFFAOYSA-N
MW401.59 g/mol
LogP7.15
Rot. Bonds3

About 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole

4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole (PubChem CID 54108231) has the molecular formula C28H35NO and a molecular weight of 401.59 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole
PubChem CID54108231
Molecular FormulaC28H35NO
Molecular Weight401.59 g/mol
Exact Mass401.27
IUPAC Name4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole
SMILESCC(=Cc1ccc(C2=NC(C)(C)CO2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C28H35NO/c1-19(16-20-8-10-21(11-9-20)25-29-28(6,7)18-30-25)22-12-13-23-24(17-22)27(4,5)15-14-26(23,2)3/h8-13,16-17H,14-15,18H2,1-7H3
InChIKeyNFGLQRKBYMMHHQ-UHFFFAOYSA-N
XLogP7.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole (CID 54108231) is 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole is CC(=Cc1ccc(C2=NC(C)(C)CO2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole?
The InChIKey is NFGLQRKBYMMHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO/c1-19(16-20-8-10-21(11-9-20)25-29-28(6,7)18-30-25)22-12-13-23-24(17-22)27(4,5)15-14-26(23,2)3/h8-13,16-17H,14-15,18H2,1-7H3.
What are the key properties of 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole has a molecular weight of 401.59 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 54108231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).