[methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane

C24H42O3Si — CID 15633728

IUPAC[methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane
SMILESCOC(O[Si](C(C)C)(C(C)C)C(C)C)C1CCCC1C(OC)c1ccccc1
InChIInChI=1S/C24H42O3Si/c1-17(2)28(18(3)4,19(5)6)27-24(26-8)22-16-12-15-21(22)23(25-7)20-13-10-9-11-14-20/h9-11,13-14,17-19,21-24H,12,15-16H2,1-8H3
InChIKeyFYLAGDCIAWUJPT-UHFFFAOYSA-N
MW406.68 g/mol
LogP6.95
Rot. Bonds10

About [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane

[methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane (PubChem CID 15633728) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane
PubChem CID15633728
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Name[methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane
SMILESCOC(O[Si](C(C)C)(C(C)C)C(C)C)C1CCCC1C(OC)c1ccccc1
InChIInChI=1S/C24H42O3Si/c1-17(2)28(18(3)4,19(5)6)27-24(26-8)22-16-12-15-21(22)23(25-7)20-13-10-9-11-14-20/h9-11,13-14,17-19,21-24H,12,15-16H2,1-8H3
InChIKeyFYLAGDCIAWUJPT-UHFFFAOYSA-N
XLogP6.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane
CID 10521411
(6-methoxy-3,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-4-yl)oxy-trimethylsilane
CID 13084979
triethyl-[(2R,3R)-4-methyl-2-phenyl-3-propan-2-yl-2,3-dihydrofuran-5-yl]silane
CID 101730997
[(1R,3aR,4S,7aR)-7a-methyl-1-[(E,2R,5S)-6-methyl-5-phenylmethoxyhept-3-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
CID 156904487
tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane
CID 54194528
2-(t-Butyldimethylsilyloxy)-5-(4-fluorophenyl) tetrahydrofuran
CID 54194529
(5S)-2-(t-Butyldimethylsilyloxy)-5-(4-fluorophenyl) tetrahydrofuran
CID 57244466
(2-(Cyclopentyl(methoxy)methyl)-5-(trifluoromethyl)benzyloxy)(tert-butyl)dimethylsilane
CID 58968676
tert-butyl-[[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methoxy]-dimethylsilane
CID 158829662
[4-[(2S,3S)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane
CID 173614625
[4-(Dimethoxymethyl)phenyl]-methoxy-dimethylsilane
CID 44139276
Tert-butyl-[[4-(diethoxymethyl)phenyl]methoxy]-dimethylsilane
CID 10496235

Frequently Asked Questions

What is the IUPAC name of [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane?
The IUPAC name of [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane (CID 15633728) is [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane is COC(O[Si](C(C)C)(C(C)C)C(C)C)C1CCCC1C(OC)c1ccccc1.
What is the InChIKey of [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane?
The InChIKey is FYLAGDCIAWUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-17(2)28(18(3)4,19(5)6)27-24(26-8)22-16-12-15-21(22)23(25-7)20-13-10-9-11-14-20/h9-11,13-14,17-19,21-24H,12,15-16H2,1-8H3.
What are the key properties of [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane?
[methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane has a molecular weight of 406.68 g/mol, XLogP of 6.95, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-[2-[methoxy(phenyl)methyl]cyclopentyl]methoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 15633728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).