methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate

C51H82O6Si2 — CID 176587333

IUPACmethyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate
SMILESCCC(C)CC(CC(CC(C)C(=O)OC)(c1cccc(COCCCO[Si](C)(C)C(C)(C)C)c1)c1cccc(COCCCO[Si](C)(C)C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C51H82O6Si2/c1-15-40(2)33-45(44-25-17-16-18-26-44)37-51(36-41(3)48(52)53-10,46-27-19-23-42(34-46)38-54-29-21-31-56-58(11,12)49(4,5)6)47-28-20-24-43(35-47)39-55-30-22-32-57-59(13,14)50(7,8)9/h16-20,23-28,34-35,40-41,45H,15,21-22,29-33,36-39H2,1-14H3
InChIKeyDPMPCODNRJFCJQ-UHFFFAOYSA-N
MW847.38 g/mol
LogP13.64
Rot. Bonds25

About methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate

methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate (PubChem CID 176587333) has the molecular formula C51H82O6Si2 and a molecular weight of 847.38 g/mol. Its IUPAC name is methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate.

Molecular Properties

Compound Namemethyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate
PubChem CID176587333
Molecular FormulaC51H82O6Si2
Molecular Weight847.38 g/mol
Exact Mass846.56
IUPAC Namemethyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate
SMILESCCC(C)CC(CC(CC(C)C(=O)OC)(c1cccc(COCCCO[Si](C)(C)C(C)(C)C)c1)c1cccc(COCCCO[Si](C)(C)C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C51H82O6Si2/c1-15-40(2)33-45(44-25-17-16-18-26-44)37-51(36-41(3)48(52)53-10,46-27-19-23-42(34-46)38-54-29-21-31-56-58(11,12)49(4,5)6)47-28-20-24-43(35-47)39-55-30-22-32-57-59(13,14)50(7,8)9/h16-20,23-28,34-35,40-41,45H,15,21-22,29-33,36-39H2,1-14H3
InChIKeyDPMPCODNRJFCJQ-UHFFFAOYSA-N
XLogP13.64
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.38
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
CID 176587327
5-O-butyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate
CID 158276501
methyl 4-(4-fluorophenyl)-4-[4-(10-hydroxydecoxy)phenyl]-2,8-dimethyl-6-phenyldecanoate
CID 176587304
5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium
CID 161400095
methyl 4-(4-diethoxyphosphorylphenyl)-2,6-dimethyl-4-phenyloctanoate
CID 170659344
lithium;1-O-[2-hydroxy-3-(trimethylsilylmethylsulfanyl)propyl] 5-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;5-O-methyl 1-O-(oxiran-2-ylmethyl) 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;trimethylsilylmethanethiol;hydroxide
CID 163931588
tert-butyl (3S)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-5-yl]-6-phenylmethoxyhexanoate
CID 131747746
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde
CID 58168613
(E,2S)-9-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxy-2-(tritylamino)non-4-en-3-one
CID 10651671
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
methyl 2-azido-3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propanoate
CID 10364901

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate?
The IUPAC name of methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate (CID 176587333) is methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate.
What is the SMILES notation for methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate?
The canonical SMILES for methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate is CCC(C)CC(CC(CC(C)C(=O)OC)(c1cccc(COCCCO[Si](C)(C)C(C)(C)C)c1)c1cccc(COCCCO[Si](C)(C)C(C)(C)C)c1)c1ccccc1.
What is the InChIKey of methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate?
The InChIKey is DPMPCODNRJFCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H82O6Si2/c1-15-40(2)33-45(44-25-17-16-18-26-44)37-51(36-41(3)48(52)53-10,46-27-19-23-42(34-46)38-54-29-21-31-56-58(11,12)49(4,5)6)47-28-20-24-43(35-47)39-55-30-22-32-57-59(13,14)50(7,8)9/h16-20,23-28,34-35,40-41,45H,15,21-22,29-33,36-39H2,1-14H3.
What are the key properties of methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate?
methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate has a molecular weight of 847.38 g/mol, XLogP of 13.64, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate is sourced from PubChem (CID 176587333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).