6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one

C30H40O3Si — CID 53392022

IUPAC6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](OCCCC1=CC(=O)CC(C2CCCCC2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H40O3Si/c1-30(2,3)34(27-17-9-5-10-18-27,28-19-11-6-12-20-28)32-21-13-16-26-22-25(31)23-29(33-26)24-14-7-4-8-15-24/h5-6,9-12,17-20,22,24,29H,4,7-8,13-16,21,23H2,1-3H3
InChIKeyOFDCGWKUCSDIJB-UHFFFAOYSA-N
MW476.73 g/mol
LogP6.17
Rot. Bonds8

About 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one

6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one (PubChem CID 53392022) has the molecular formula C30H40O3Si and a molecular weight of 476.73 g/mol. Its IUPAC name is 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one
PubChem CID53392022
Molecular FormulaC30H40O3Si
Molecular Weight476.73 g/mol
Exact Mass476.27
IUPAC Name6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](OCCCC1=CC(=O)CC(C2CCCCC2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H40O3Si/c1-30(2,3)34(27-17-9-5-10-18-27,28-19-11-6-12-20-28)32-21-13-16-26-22-25(31)23-29(33-26)24-14-7-4-8-15-24/h5-6,9-12,17-20,22,24,29H,4,7-8,13-16,21,23H2,1-3H3
InChIKeyOFDCGWKUCSDIJB-UHFFFAOYSA-N
XLogP6.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.73
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(3aS,4S,6aR)-4-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11167187
(4aS,6R,7Z,10aR)-6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,4,4a,6,10,10a-hexahydro-2H-pyrano[3,2-b]oxocin-9-one
CID 24756174
tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
CID 71545551
(3aS,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139025697
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 19358695
(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one
CID 162511254
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one
CID 11091100
(1S,3R,5R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,6-dioxabicyclo[3.2.0]heptan-7-one
CID 102044469
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one?
The IUPAC name of 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one (CID 53392022) is 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one is CC(C)(C)[Si](OCCCC1=CC(=O)CC(C2CCCCC2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one?
The InChIKey is OFDCGWKUCSDIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40O3Si/c1-30(2,3)34(27-17-9-5-10-18-27,28-19-11-6-12-20-28)32-21-13-16-26-22-25(31)23-29(33-26)24-14-7-4-8-15-24/h5-6,9-12,17-20,22,24,29H,4,7-8,13-16,21,23H2,1-3H3.
What are the key properties of 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one?
6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one has a molecular weight of 476.73 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 53392022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).