(4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol

C22H33NO2Si — CID 68644997

IUPAC(4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol
SMILESCNC(C(C)C)[C@@H](O)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H33NO2Si/c1-17(2)21(23-5)20(24)16-22(3,4)26(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21,23-25H,16H2,1-5H3/t20-,21?/m0/s1
InChIKeyOQCPJERODNLOMI-BGERDNNASA-N
MW371.60 g/mol
LogP2.51
Rot. Bonds8

About (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol

(4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol (PubChem CID 68644997) has the molecular formula C22H33NO2Si and a molecular weight of 371.60 g/mol. Its IUPAC name is (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol.

Molecular Properties

Compound Name(4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol
PubChem CID68644997
Molecular FormulaC22H33NO2Si
Molecular Weight371.60 g/mol
Exact Mass371.23
IUPAC Name(4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol
SMILESCNC(C(C)C)[C@@H](O)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H33NO2Si/c1-17(2)21(23-5)20(24)16-22(3,4)26(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21,23-25H,16H2,1-5H3/t20-,21?/m0/s1
InChIKeyOQCPJERODNLOMI-BGERDNNASA-N
XLogP2.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.60
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol?
The IUPAC name of (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol (CID 68644997) is (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol.
What is the SMILES notation for (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol?
The canonical SMILES for (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol is CNC(C(C)C)[C@@H](O)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol?
The InChIKey is OQCPJERODNLOMI-BGERDNNASA-N. The full InChI is InChI=1S/C22H33NO2Si/c1-17(2)21(23-5)20(24)16-22(3,4)26(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-21,23-25H,16H2,1-5H3/t20-,21?/m0/s1.
What are the key properties of (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol?
(4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol has a molecular weight of 371.60 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol is sourced from PubChem (CID 68644997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).