methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate

C30H41FO5Si — CID 11081995

IUPACmethyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1c(C(C)C(=O)OC)cc2c(c1-c1ccc(F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C30H41FO5Si/c1-18(27(32)34-7)22-15-20-16-30(5,6)17-23(36-37(9,10)29(2,3)4)24(20)25(26(22)28(33)35-8)19-11-13-21(31)14-12-19/h11-15,18,23H,16-17H2,1-10H3
InChIKeyXOOLPMVAUVMEDM-UHFFFAOYSA-N
MW528.74 g/mol
LogP7.59
Rot. Bonds6

About methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate

methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate (PubChem CID 11081995) has the molecular formula C30H41FO5Si and a molecular weight of 528.74 g/mol. Its IUPAC name is methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate
PubChem CID11081995
Molecular FormulaC30H41FO5Si
Molecular Weight528.74 g/mol
Exact Mass528.27
IUPAC Namemethyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1c(C(C)C(=O)OC)cc2c(c1-c1ccc(F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C30H41FO5Si/c1-18(27(32)34-7)22-15-20-16-30(5,6)17-23(36-37(9,10)29(2,3)4)24(20)25(26(22)28(33)35-8)19-11-13-21(31)14-12-19/h11-15,18,23H,16-17H2,1-10H3
InChIKeyXOOLPMVAUVMEDM-UHFFFAOYSA-N
XLogP7.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.74
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate?
The IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate (CID 11081995) is methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate is COC(=O)c1c(C(C)C(=O)OC)cc2c(c1-c1ccc(F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.
What is the InChIKey of methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate?
The InChIKey is XOOLPMVAUVMEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FO5Si/c1-18(27(32)34-7)22-15-20-16-30(5,6)17-23(36-37(9,10)29(2,3)4)24(20)25(26(22)28(33)35-8)19-11-13-21(31)14-12-19/h11-15,18,23H,16-17H2,1-10H3.
What are the key properties of methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate?
methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate has a molecular weight of 528.74 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-3-(1-methoxy-1-oxopropan-2-yl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate is sourced from PubChem (CID 11081995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).