4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane

C29H40O2Si2 — CID 175830733

IUPAC4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)OCCCC[SiH](c2ccccc2)c2ccccc2)cc1.[SiH4]
InChIInChI=1S/C29H36O2Si.H4Si/c1-23(2)22-25-16-18-26(19-17-25)24(3)29(30)31-20-10-11-21-32(27-12-6-4-7-13-27)28-14-8-5-9-15-28;/h4-9,12-19,23-24,32H,10-11,20-22H2,1-3H3;1H4/t24-;/m1./s1
InChIKeySCTAAOXFLUHOMD-GJFSDDNBSA-N
MW476.81 g/mol
LogP3.90
Rot. Bonds11

About 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane

4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane (PubChem CID 175830733) has the molecular formula C29H40O2Si2 and a molecular weight of 476.81 g/mol. Its IUPAC name is 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane.

Molecular Properties

Compound Name4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane
PubChem CID175830733
Molecular FormulaC29H40O2Si2
Molecular Weight476.81 g/mol
Exact Mass476.26
IUPAC Name4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)OCCCC[SiH](c2ccccc2)c2ccccc2)cc1.[SiH4]
InChIInChI=1S/C29H36O2Si.H4Si/c1-23(2)22-25-16-18-26(19-17-25)24(3)29(30)31-20-10-11-21-32(27-12-6-4-7-13-27)28-14-8-5-9-15-28;/h4-9,12-19,23-24,32H,10-11,20-22H2,1-3H3;1H4/t24-;/m1./s1
InChIKeySCTAAOXFLUHOMD-GJFSDDNBSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 53.90
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

octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
3-bromopropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 11727156
iodobenzene;4-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]butanoic acid
CID 122509645
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
(5-methyl-4-oxohexyl) 2-[4-(2-methylpropyl)phenyl]propanoate;vanadium
CID 143892618
2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 71558422
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
3-pyridin-3-ylpropyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 124528117
pentyl (2S)-2-phenylpropanoate
CID 70845237

Frequently Asked Questions

What is the IUPAC name of 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane?
The IUPAC name of 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane (CID 175830733) is 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane.
What is the SMILES notation for 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane?
The canonical SMILES for 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane is CC(C)Cc1ccc([C@@H](C)C(=O)OCCCC[SiH](c2ccccc2)c2ccccc2)cc1.[SiH4].
What is the InChIKey of 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane?
The InChIKey is SCTAAOXFLUHOMD-GJFSDDNBSA-N. The full InChI is InChI=1S/C29H36O2Si.H4Si/c1-23(2)22-25-16-18-26(19-17-25)24(3)29(30)31-20-10-11-21-32(27-12-6-4-7-13-27)28-14-8-5-9-15-28;/h4-9,12-19,23-24,32H,10-11,20-22H2,1-3H3;1H4/t24-;/m1./s1.
What are the key properties of 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane?
4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane has a molecular weight of 476.81 g/mol, XLogP of 3.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylsilylbutyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate;silane is sourced from PubChem (CID 175830733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).