(Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol

C18H28ClFN4O2Si — CID 11750345

IUPAC(Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC/C(CCO)=C(\F)Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C18H28ClFN4O2Si/c1-18(2,3)27(4,5)26-9-7-13(6-8-25)14(20)10-24-12-23-15-16(19)21-11-22-17(15)24/h11-12,25H,6-10H2,1-5H3/b14-13-
InChIKeyKAYFPVUJTWAMKS-YPKPFQOOSA-N
MW414.99 g/mol
LogP4.50
Rot. Bonds8

About (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol

(Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol (PubChem CID 11750345) has the molecular formula C18H28ClFN4O2Si and a molecular weight of 414.99 g/mol. Its IUPAC name is (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol
PubChem CID11750345
Molecular FormulaC18H28ClFN4O2Si
Molecular Weight414.99 g/mol
Exact Mass414.17
IUPAC Name(Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC/C(CCO)=C(\F)Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C18H28ClFN4O2Si/c1-18(2,3)27(4,5)26-9-7-13(6-8-25)14(20)10-24-12-23-15-16(19)21-11-22-17(15)24/h11-12,25H,6-10H2,1-5H3/b14-13-
InChIKeyKAYFPVUJTWAMKS-YPKPFQOOSA-N
XLogP4.50
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.99
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol with MolForge

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Related Compounds

tert-butyl-[[(5S,7R)-7-[(6-chloropurin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methoxy]-dimethylsilane
CID 11284678
[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
CID 174009285
tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
CID 169448663
6-chloro-9-(5,5-difluoropent-4-enyl)purine
CID 57168713
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane
CID 11734039
2-[(6-chloropurin-9-yl)methylsulfanyl]ethyl acetate
CID 12899590
tert-butyl 4-[(6-chloropurin-9-yl)methyl]piperidine-1-carboxylate
CID 22309587
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723
tert-butyl N-[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloropurin-2-yl]carbamate
CID 101468067
(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol
CID 10738837
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
CID 12994167
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
CID 11071526

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol?
The IUPAC name of (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol (CID 11750345) is (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol.
What is the SMILES notation for (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol?
The canonical SMILES for (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol is CC(C)(C)[Si](C)(C)OCC/C(CCO)=C(\F)Cn1cnc2c(Cl)ncnc21.
What is the InChIKey of (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol?
The InChIKey is KAYFPVUJTWAMKS-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H28ClFN4O2Si/c1-18(2,3)27(4,5)26-9-7-13(6-8-25)14(20)10-24-12-23-15-16(19)21-11-22-17(15)24/h11-12,25H,6-10H2,1-5H3/b14-13-.
What are the key properties of (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol?
(Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol has a molecular weight of 414.99 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(6-chloropurin-9-yl)-4-fluoropent-3-en-1-ol is sourced from PubChem (CID 11750345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).