(2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol

C20H36O4Si — CID 134847642

IUPAC(2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
SMILESCOc1ccc(COC[C@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H36O4Si/c1-15(2)25(16(3)4,17(5)6)24-14-19(21)13-23-12-18-8-10-20(22-7)11-9-18/h8-11,15-17,19,21H,12-14H2,1-7H3/t19-/m0/s1
InChIKeyATUWBGVPSWAAPI-IBGZPJMESA-N
MW368.59 g/mol
LogP4.76
Rot. Bonds11

About (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol

(2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol (PubChem CID 134847642) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
PubChem CID134847642
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
SMILESCOc1ccc(COC[C@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H36O4Si/c1-15(2)25(16(3)4,17(5)6)24-14-19(21)13-23-12-18-8-10-20(22-7)11-9-18/h8-11,15-17,19,21H,12-14H2,1-7H3/t19-/m0/s1
InChIKeyATUWBGVPSWAAPI-IBGZPJMESA-N
XLogP4.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nonaethylene Glycol Nonylphenyl Ether
CID 72385
4-Nonylphenol diethoxylate
CID 24773
Octaethylene glycol mono(p-nonylphenyl) ether
CID 72384
20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol
CID 119758
1-(4-Methoxyphenyl)propane-1,2-diol
CID 3016654
Ethanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-
CID 81745
3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-(4-nonylphenoxy)-
CID 454539
3-(4-Nonylphenoxy)-1,2-propanediol
CID 101160
Nonoxynol-3
CID 182668
3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol
CID 13186849
2-(((4-Methoxyphenyl)methoxy)methyl)oxirane
CID 2774076
Pentaethylene glycol mono(p-nonylphenyl) ether
CID 542446

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
The IUPAC name of (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol (CID 134847642) is (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
The canonical SMILES for (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol is COc1ccc(COC[C@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
The InChIKey is ATUWBGVPSWAAPI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H36O4Si/c1-15(2)25(16(3)4,17(5)6)24-14-19(21)13-23-12-18-8-10-20(22-7)11-9-18/h8-11,15-17,19,21H,12-14H2,1-7H3/t19-/m0/s1.
What are the key properties of (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
(2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol has a molecular weight of 368.59 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol is sourced from PubChem (CID 134847642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).