(8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde

C30H41FO2Si — CID 59075936

IUPAC(8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde
SMILESCC1(C)Cc2cc(C3CCCC3)c(C=O)c(-c3ccc(F)cc3)c2[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C30H41FO2Si/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/h12-16,19-20,26H,8-11,17-18H2,1-7H3/t26-/m0/s1
InChIKeyAWQQASZAAIRONU-SANMLTNESA-N
MW480.74 g/mol
LogP9.00
Rot. Bonds5

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

(8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde (PubChem CID 59075936) has the molecular formula C30H41FO2Si and a molecular weight of 480.74 g/mol. Its IUPAC name is (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde
PubChem CID59075936
Molecular FormulaC30H41FO2Si
Molecular Weight480.74 g/mol
Exact Mass480.29
IUPAC Name(8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde
SMILESCC1(C)Cc2cc(C3CCCC3)c(C=O)c(-c3ccc(F)cc3)c2[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C30H41FO2Si/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/h12-16,19-20,26H,8-11,17-18H2,1-7H3/t26-/m0/s1
InChIKeyAWQQASZAAIRONU-SANMLTNESA-N
XLogP9.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.74
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde?
The IUPAC name of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde (CID 59075936) is (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde.
What is the SMILES notation for (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde?
The canonical SMILES for (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde is CC1(C)Cc2cc(C3CCCC3)c(C=O)c(-c3ccc(F)cc3)c2[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde?
The InChIKey is AWQQASZAAIRONU-SANMLTNESA-N. The full InChI is InChI=1S/C30H41FO2Si/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/h12-16,19-20,26H,8-11,17-18H2,1-7H3/t26-/m0/s1.
What are the key properties of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde?
(8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde has a molecular weight of 480.74 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyl-1-(4-fluorophenyl)-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 59075936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).