(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one

C33H50O3Si — CID 11409860

IUPAC(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one
SMILESCCCCCCCCCCC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCC(=O)O1
InChIInChI=1S/C33H50O3Si/c1-5-6-7-8-9-10-11-12-19-26-33(27-20-25-31(34)36-33)28-35-37(32(2,3)4,29-21-15-13-16-22-29)30-23-17-14-18-24-30/h13-18,21-24H,5-12,19-20,25-28H2,1-4H3/t33-/m1/s1
InChIKeyHSALPBOBKBPFKE-MGBGTMOVSA-N
MW522.85 g/mol
LogP7.95
Rot. Bonds15

About (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one

(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one (PubChem CID 11409860) has the molecular formula C33H50O3Si and a molecular weight of 522.85 g/mol. Its IUPAC name is (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one.

Molecular Properties

Compound Name(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one
PubChem CID11409860
Molecular FormulaC33H50O3Si
Molecular Weight522.85 g/mol
Exact Mass522.35
IUPAC Name(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one
SMILESCCCCCCCCCCC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCC(=O)O1
InChIInChI=1S/C33H50O3Si/c1-5-6-7-8-9-10-11-12-19-26-33(27-20-25-31(34)36-33)28-35-37(32(2,3)4,29-21-15-13-16-22-29)30-23-17-14-18-24-30/h13-18,21-24H,5-12,19-20,25-28H2,1-4H3/t33-/m1/s1
InChIKeyHSALPBOBKBPFKE-MGBGTMOVSA-N
XLogP7.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.85
LogP ≤ 57.95
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

(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 25108262
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 11014073
Octadecanoic acid, phenyl-, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester
CID 172332
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3,5-dimethyloxan-2-one
CID 10960866
methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate
CID 11028270
methyl (1S,2S,5R)-1-acetyloxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(3-methoxy-3-oxopropyl)-2,5-dimethylcyclohex-3-ene-1-carboxylate
CID 11093081
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]-6-methyloxan-2-one
CID 12066110
(5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]oxolan-2-one
CID 12190362
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)-5-methyloxan-2-one
CID 14081024
(4S,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 14215134
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 14761724
ethyl 2-[(1R,5S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methylcyclohex-2-en-1-yl]acetate
CID 23630450

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one?
The IUPAC name of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one (CID 11409860) is (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one.
What is the SMILES notation for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one?
The canonical SMILES for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one is CCCCCCCCCCC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCC(=O)O1.
What is the InChIKey of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one?
The InChIKey is HSALPBOBKBPFKE-MGBGTMOVSA-N. The full InChI is InChI=1S/C33H50O3Si/c1-5-6-7-8-9-10-11-12-19-26-33(27-20-25-31(34)36-33)28-35-37(32(2,3)4,29-21-15-13-16-22-29)30-23-17-14-18-24-30/h13-18,21-24H,5-12,19-20,25-28H2,1-4H3/t33-/m1/s1.
What are the key properties of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one?
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one has a molecular weight of 522.85 g/mol, XLogP of 7.95, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-undecyloxan-2-one is sourced from PubChem (CID 11409860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).