(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol

C22H31NO2Si — CID 70330096

IUPAC(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol
SMILESC/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H](N)CO
InChIInChI=1S/C22H31NO2Si/c1-4-11-18(21(23)17-24)16-22(2,3)26(25,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h4-15,18,21,24-25H,16-17,23H2,1-3H3/b11-4+/t18-,21-/m0/s1
InChIKeyULEZQFFNVCJSQE-RQTPQESZSA-N
MW369.58 g/mol
LogP2.42
Rot. Bonds8

About (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol

(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol (PubChem CID 70330096) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol.

Molecular Properties

Compound Name(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol
PubChem CID70330096
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol
SMILESC/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H](N)CO
InChIInChI=1S/C22H31NO2Si/c1-4-11-18(21(23)17-24)16-22(2,3)26(25,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h4-15,18,21,24-25H,16-17,23H2,1-3H3/b11-4+/t18-,21-/m0/s1
InChIKeyULEZQFFNVCJSQE-RQTPQESZSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol?
The IUPAC name of (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol (CID 70330096) is (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol.
What is the SMILES notation for (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol?
The canonical SMILES for (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol is C/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H](N)CO.
What is the InChIKey of (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol?
The InChIKey is ULEZQFFNVCJSQE-RQTPQESZSA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-4-11-18(21(23)17-24)16-22(2,3)26(25,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h4-15,18,21,24-25H,16-17,23H2,1-3H3/b11-4+/t18-,21-/m0/s1.
What are the key properties of (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol?
(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol has a molecular weight of 369.58 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]hex-4-en-1-ol is sourced from PubChem (CID 70330096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).