(3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol

C21H38O4Si — CID 10596098

IUPAC(3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol
SMILESCCC[C@](CCO)(CCc1ccccc1)OCOCOCC[Si](C)(C)C
InChIInChI=1S/C21H38O4Si/c1-5-12-21(14-15-22,13-11-20-9-7-6-8-10-20)25-19-24-18-23-16-17-26(2,3)4/h6-10,22H,5,11-19H2,1-4H3/t21-/m1/s1
InChIKeyIPMNXCZEMADBLB-OAQYLSRUSA-N
MW382.62 g/mol
LogP4.84
Rot. Bonds15

About (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol

(3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol (PubChem CID 10596098) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol.

Molecular Properties

Compound Name(3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol
PubChem CID10596098
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Name(3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol
SMILESCCC[C@](CCO)(CCc1ccccc1)OCOCOCC[Si](C)(C)C
InChIInChI=1S/C21H38O4Si/c1-5-12-21(14-15-22,13-11-20-9-7-6-8-10-20)25-19-24-18-23-16-17-26(2,3)4/h6-10,22H,5,11-19H2,1-4H3/t21-/m1/s1
InChIKeyIPMNXCZEMADBLB-OAQYLSRUSA-N
XLogP4.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate
CID 10620039
(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal
CID 10494034
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
2-(butoxymethoxy)ethylbenzene
CID 14640423
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
phenyl(2-trimethylsilylethoxymethylperoxy)borinic acid
CID 141056027
ethoxyethane;trimethyl-[2-(2-trimethylsilylethoxymethoxymethoxy)ethyl]silane
CID 88546409
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
(2S,3R)-2-(2-methylsulfanylethyl)-2-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxymethoxy)butanoic acid
CID 102463299
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dipropyl-5,6-bis(2-trimethylsilylethoxymethoxy)-1,3-diazepan-2-one
CID 10556399
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dipentyl-5,6-bis(2-trimethylsilylethoxymethoxy)-1,3-diazepan-2-one
CID 10818684

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol?
The IUPAC name of (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol (CID 10596098) is (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol.
What is the SMILES notation for (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol?
The canonical SMILES for (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol is CCC[C@](CCO)(CCc1ccccc1)OCOCOCC[Si](C)(C)C.
What is the InChIKey of (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol?
The InChIKey is IPMNXCZEMADBLB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-5-12-21(14-15-22,13-11-20-9-7-6-8-10-20)25-19-24-18-23-16-17-26(2,3)4/h6-10,22H,5,11-19H2,1-4H3/t21-/m1/s1.
What are the key properties of (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol?
(3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol has a molecular weight of 382.62 g/mol, XLogP of 4.84, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol is sourced from PubChem (CID 10596098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).