(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline

C25H34OSi — CID 11440351

IUPAC(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si@]1(c2ccccc2)CCCc2ccccc21
InChIInChI=1S/C25H34OSi/c1-19(2)23-16-15-20(3)18-24(23)26-27(22-12-5-4-6-13-22)17-9-11-21-10-7-8-14-25(21)27/h4-8,10,12-14,19-20,23-24H,9,11,15-18H2,1-3H3/t20-,23+,24-,27+/m1/s1
InChIKeyDSPKAYSOOHTGSS-ULGZCJNSSA-N
MW378.63 g/mol
LogP5.17
Rot. Bonds4

About (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline

(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline (PubChem CID 11440351) has the molecular formula C25H34OSi and a molecular weight of 378.63 g/mol. Its IUPAC name is (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline.

Molecular Properties

Compound Name(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline
PubChem CID11440351
Molecular FormulaC25H34OSi
Molecular Weight378.63 g/mol
Exact Mass378.24
IUPAC Name(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si@]1(c2ccccc2)CCCc2ccccc21
InChIInChI=1S/C25H34OSi/c1-19(2)23-16-15-20(3)18-24(23)26-27(22-12-5-4-6-13-22)17-9-11-21-10-7-8-14-25(21)27/h4-8,10,12-14,19-20,23-24H,9,11,15-18H2,1-3H3/t20-,23+,24-,27+/m1/s1
InChIKeyDSPKAYSOOHTGSS-ULGZCJNSSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.17
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

[(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane
CID 102531514
chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane
CID 58895116
Silane, chloro(menthoxy)methylphenyl-
CID 614386
tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane
CID 134944392
2-Isopropyl-5-methylcyclohexyl methyl(1-naphthyl)phenylsilyl ether
CID 13101986
Ethyl(4-fluorophenyl)[(2-isopropyl-5-methylcyclohexyl)oxy](methyl)silane
CID 593339
(4-Fluorophenyl)(bis[(2-isopropyl-5-methylcyclohexyl)oxy])methylsilane
CID 593487
2-Ethylcyclohexanol, benzyldimethylsilyl ether
CID 91697320
Silane, diphenylbutoxy(2-ethylcyclohexyloxy)-
CID 91732153
Silane, diphenyl(3,5-dimethylcyclohexyloxy)undecyloxy-
CID 91732605
Silane, diphenyl(3,5-dimethylcyclohexyloxy)nonyloxy-
CID 91732643
Silane, diphenyl(3,5-dimethylcyclohexyloxy)octyloxy-
CID 91732645

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline?
The IUPAC name of (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline (CID 11440351) is (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline.
What is the SMILES notation for (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline?
The canonical SMILES for (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si@]1(c2ccccc2)CCCc2ccccc21.
What is the InChIKey of (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline?
The InChIKey is DSPKAYSOOHTGSS-ULGZCJNSSA-N. The full InChI is InChI=1S/C25H34OSi/c1-19(2)23-16-15-20(3)18-24(23)26-27(22-12-5-4-6-13-22)17-9-11-21-10-7-8-14-25(21)27/h4-8,10,12-14,19-20,23-24H,9,11,15-18H2,1-3H3/t20-,23+,24-,27+/m1/s1.
What are the key properties of (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline?
(1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline has a molecular weight of 378.63 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-phenyl-3,4-dihydro-2H-1-benzosiline is sourced from PubChem (CID 11440351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).