4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one

C27H36O2Si — CID 11091100

IUPAC4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one
SMILESCC1(CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(=O)C1
InChIInChI=1S/C27H36O2Si/c1-26(2,3)30(24-14-8-5-9-15-24,25-16-10-6-11-17-25)29-21-13-7-12-19-27(4)20-18-23(28)22-27/h5-6,8-11,14-18,20H,7,12-13,19,21-22H2,1-4H3
InChIKeyIGUHMMBAHAUMPJ-UHFFFAOYSA-N
MW420.67 g/mol
LogP5.66
Rot. Bonds9

About 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one

4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one (PubChem CID 11091100) has the molecular formula C27H36O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one
PubChem CID11091100
Molecular FormulaC27H36O2Si
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Name4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one
SMILESCC1(CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(=O)C1
InChIInChI=1S/C27H36O2Si/c1-26(2,3)30(24-14-8-5-9-15-24,25-16-10-6-11-17-25)29-21-13-7-12-19-27(4)20-18-23(28)22-27/h5-6,8-11,14-18,20H,7,12-13,19,21-22H2,1-4H3
InChIKeyIGUHMMBAHAUMPJ-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-[5-(furan-3-yl)pentoxy]-diphenylsilane
CID 11153578
(3aS,4S,6aR)-4-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11167187
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
CID 178089202
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one?
The IUPAC name of 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one (CID 11091100) is 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one?
The canonical SMILES for 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one is CC1(CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(=O)C1.
What is the InChIKey of 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one?
The InChIKey is IGUHMMBAHAUMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2Si/c1-26(2,3)30(24-14-8-5-9-15-24,25-16-10-6-11-17-25)29-21-13-7-12-19-27(4)20-18-23(28)22-27/h5-6,8-11,14-18,20H,7,12-13,19,21-22H2,1-4H3.
What are the key properties of 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one?
4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one has a molecular weight of 420.67 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 11091100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).