(1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline

C29H44OSi — CID 44514589

IUPAC(1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline
SMILESCC(C)c1cc(C(C)C)c([C@@H](C)O[Si@@]2(C(C)C)CCCc3ccccc32)c(C(C)C)c1
InChIInChI=1S/C29H44OSi/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)23(9)30-31(22(7)8)16-12-14-24-13-10-11-15-28(24)31/h10-11,13,15,17-23H,12,14,16H2,1-9H3/t23-,31-/m1/s1
InChIKeyFRGGSASPFLBIES-SLGOVJDISA-N
MW436.76 g/mol
LogP8.34
Rot. Bonds7

About (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline

(1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline (PubChem CID 44514589) has the molecular formula C29H44OSi and a molecular weight of 436.76 g/mol. Its IUPAC name is (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline.

Molecular Properties

Compound Name(1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline
PubChem CID44514589
Molecular FormulaC29H44OSi
Molecular Weight436.76 g/mol
Exact Mass436.32
IUPAC Name(1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline
SMILESCC(C)c1cc(C(C)C)c([C@@H](C)O[Si@@]2(C(C)C)CCCc3ccccc32)c(C(C)C)c1
InChIInChI=1S/C29H44OSi/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)23(9)30-31(22(7)8)16-12-14-24-13-10-11-15-28(24)31/h10-11,13,15,17-23H,12,14,16H2,1-9H3/t23-,31-/m1/s1
InChIKeyFRGGSASPFLBIES-SLGOVJDISA-N
XLogP8.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.76
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(Z)-3-phenylprop-1-enoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
CID 135061019
2-[1-(3-phenylprop-1-ynoxy)ethyl]-1,3,5-tri(propan-2-yl)benzene
CID 85161066
(1R)-1-tert-butyl-1-chloro-3,4-dihydro-2H-1-benzosiline
CID 101402318
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2-[1-[(1Z)-penta-1,4-dienoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
CID 135061596
2-[(1R)-1-[(1Z)-2-methylbuta-1,3-dienoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
CID 134882548
[(Z)-3-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]prop-2-enyl] benzoate
CID 135062656
3,12,21-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,12,21-triazatetracyclo[21.4.0.05,10.014,19]heptacosa-1(27),5,7,9,14,16,18,23,25-nonaene
CID 11007699
1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one
CID 100949370
6-[bromo-(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439446
(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
CID 11617702
(2S)-2-[(E,1R,2S)-2-methyl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pent-3-enyl]cyclohexan-1-one
CID 11384803

Frequently Asked Questions

What is the IUPAC name of (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline?
The IUPAC name of (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline (CID 44514589) is (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline.
What is the SMILES notation for (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline?
The canonical SMILES for (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline is CC(C)c1cc(C(C)C)c([C@@H](C)O[Si@@]2(C(C)C)CCCc3ccccc32)c(C(C)C)c1.
What is the InChIKey of (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline?
The InChIKey is FRGGSASPFLBIES-SLGOVJDISA-N. The full InChI is InChI=1S/C29H44OSi/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)23(9)30-31(22(7)8)16-12-14-24-13-10-11-15-28(24)31/h10-11,13,15,17-23H,12,14,16H2,1-9H3/t23-,31-/m1/s1.
What are the key properties of (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline?
(1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline has a molecular weight of 436.76 g/mol, XLogP of 8.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-propan-2-yl-1-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3,4-dihydro-2H-1-benzosiline is sourced from PubChem (CID 44514589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).