[8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol

C30H43FO2Si — CID 18509171

IUPAC[8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol
SMILESCC1(C)Cc2cc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C30H43FO2Si/c1-29(2,3)34(6,7)33-26-18-30(4,5)17-22-16-24(20-10-8-9-11-20)25(19-32)27(28(22)26)21-12-14-23(31)15-13-21/h12-16,20,26,32H,8-11,17-19H2,1-7H3
InChIKeyFJBHAUNDISIRBK-UHFFFAOYSA-N
MW482.76 g/mol
LogP8.68
Rot. Bonds5

About [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol

[8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol (PubChem CID 18509171) has the molecular formula C30H43FO2Si and a molecular weight of 482.76 g/mol. Its IUPAC name is [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol
PubChem CID18509171
Molecular FormulaC30H43FO2Si
Molecular Weight482.76 g/mol
Exact Mass482.30
IUPAC Name[8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol
SMILESCC1(C)Cc2cc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C30H43FO2Si/c1-29(2,3)34(6,7)33-26-18-30(4,5)17-22-16-24(20-10-8-9-11-20)25(19-32)27(28(22)26)21-12-14-23(31)15-13-21/h12-16,20,26,32H,8-11,17-19H2,1-7H3
InChIKeyFJBHAUNDISIRBK-UHFFFAOYSA-N
XLogP8.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol?
The IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol (CID 18509171) is [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol.
What is the SMILES notation for [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol?
The canonical SMILES for [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol is CC1(C)Cc2cc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol?
The InChIKey is FJBHAUNDISIRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43FO2Si/c1-29(2,3)34(6,7)33-26-18-30(4,5)17-22-16-24(20-10-8-9-11-20)25(19-32)27(28(22)26)21-12-14-23(31)15-13-21/h12-16,20,26,32H,8-11,17-19H2,1-7H3.
What are the key properties of [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol?
[8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol has a molecular weight of 482.76 g/mol, XLogP of 8.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalen-2-yl]methanol is sourced from PubChem (CID 18509171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).