1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene

C26H34O2S — CID 67785927

IUPAC1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESCC(=Cc1ccc(OCCS(C)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H34O2S/c1-19(17-20-7-10-22(11-8-20)28-15-16-29(6)27)21-9-12-23-24(18-21)26(4,5)14-13-25(23,2)3/h7-12,17-18H,13-16H2,1-6H3
InChIKeyWSIDSDCKEAGKMH-UHFFFAOYSA-N
MW410.62 g/mol
LogP6.35
Rot. Bonds6

About 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene (PubChem CID 67785927) has the molecular formula C26H34O2S and a molecular weight of 410.62 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene
PubChem CID67785927
Molecular FormulaC26H34O2S
Molecular Weight410.62 g/mol
Exact Mass410.23
IUPAC Name1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESCC(=Cc1ccc(OCCS(C)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H34O2S/c1-19(17-20-7-10-22(11-8-20)28-15-16-29(6)27)21-9-12-23-24(18-21)26(4,5)14-13-25(23,2)3/h7-12,17-18H,13-16H2,1-6H3
InChIKeyWSIDSDCKEAGKMH-UHFFFAOYSA-N
XLogP6.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.62
LogP ≤ 56.35
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 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene (CID 67785927) is 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene is CC(=Cc1ccc(OCCS(C)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene?
The InChIKey is WSIDSDCKEAGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2S/c1-19(17-20-7-10-22(11-8-20)28-15-16-29(6)27)21-9-12-23-24(18-21)26(4,5)14-13-25(23,2)3/h7-12,17-18H,13-16H2,1-6H3.
What are the key properties of 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene has a molecular weight of 410.62 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-[1-[4-(2-methylsulfinylethoxy)phenyl]prop-1-en-2-yl]-2,3-dihydronaphthalene is sourced from PubChem (CID 67785927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).