ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate

C30H36O3Si — CID 10743080

IUPACethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccccc1[Si](O)(c1ccccc1)c1ccccc1)CC1CCCCC1
InChIInChI=1S/C30H36O3Si/c1-2-33-30(31)26(22-24-14-6-3-7-15-24)23-25-16-12-13-21-29(25)34(32,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h4-5,8-13,16-21,24,26,32H,2-3,6-7,14-15,22-23H2,1H3
InChIKeyNOGDSWFEUFSRCQ-UHFFFAOYSA-N
MW472.70 g/mol
LogP4.34
Rot. Bonds9

About ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate

ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate (PubChem CID 10743080) has the molecular formula C30H36O3Si and a molecular weight of 472.70 g/mol. Its IUPAC name is ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate
PubChem CID10743080
Molecular FormulaC30H36O3Si
Molecular Weight472.70 g/mol
Exact Mass472.24
IUPAC Nameethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccccc1[Si](O)(c1ccccc1)c1ccccc1)CC1CCCCC1
InChIInChI=1S/C30H36O3Si/c1-2-33-30(31)26(22-24-14-6-3-7-15-24)23-25-16-12-13-21-29(25)34(32,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h4-5,8-13,16-21,24,26,32H,2-3,6-7,14-15,22-23H2,1H3
InChIKeyNOGDSWFEUFSRCQ-UHFFFAOYSA-N
XLogP4.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.70
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-chloro-2-[[2-[hydroxy(diphenyl)silyl]phenyl]methyl]heptanoate
CID 10672397
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
2-[[2-(acetyloxymethyl)phenyl]methyl]-3-cyclopentylpropanoic acid
CID 67664820
O-ethyl 2-benzyl-3-cyclohexylpropanethioate
CID 19767731
[2-(cyclohexylmethyl)-3-ethoxy-3-oxopropyl]-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium
CID 67764657
ethyl 2-[[2-(4-chlorobenzoyl)-3-phenoxyphenyl]methyl]-3-cyclopropylpropanoate
CID 174370423
(3S)-3-(cyclohexylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 59364557
ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 170452725
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
3-(cyclopentylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 20752878
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
ethyl (2R)-2-benzyl-3-cyclohexyl-3-oxopropanoate
CID 134946670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate?
The IUPAC name of ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate (CID 10743080) is ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate.
What is the SMILES notation for ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate?
The canonical SMILES for ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate is CCOC(=O)C(Cc1ccccc1[Si](O)(c1ccccc1)c1ccccc1)CC1CCCCC1.
What is the InChIKey of ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate?
The InChIKey is NOGDSWFEUFSRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O3Si/c1-2-33-30(31)26(22-24-14-6-3-7-15-24)23-25-16-12-13-21-29(25)34(32,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h4-5,8-13,16-21,24,26,32H,2-3,6-7,14-15,22-23H2,1H3.
What are the key properties of ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate?
ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate has a molecular weight of 472.70 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylmethyl)-3-[2-[hydroxy(diphenyl)silyl]phenyl]propanoate is sourced from PubChem (CID 10743080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).