(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol

C34H55NO2Si — CID 70329000

IUPAC(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol
SMILESCCCCCCCCCCCC(C)/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H](N)CO
InChIInChI=1S/C34H55NO2Si/c1-5-6-7-8-9-10-11-12-15-20-29(2)25-26-30(33(35)28-36)27-34(3,4)38(37,31-21-16-13-17-22-31)32-23-18-14-19-24-32/h13-14,16-19,21-26,29-30,33,36-37H,5-12,15,20,27-28,35H2,1-4H3/b26-25+/t29?,30-,33-/m0/s1
InChIKeyJMCATFPSXRENFT-LKAHVIGMSA-N
MW537.91 g/mol
LogP6.96
Rot. Bonds19

About (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol

(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol (PubChem CID 70329000) has the molecular formula C34H55NO2Si and a molecular weight of 537.91 g/mol. Its IUPAC name is (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol.

Molecular Properties

Compound Name(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol
PubChem CID70329000
Molecular FormulaC34H55NO2Si
Molecular Weight537.91 g/mol
Exact Mass537.40
IUPAC Name(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol
SMILESCCCCCCCCCCCC(C)/C=C/[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H](N)CO
InChIInChI=1S/C34H55NO2Si/c1-5-6-7-8-9-10-11-12-15-20-29(2)25-26-30(33(35)28-36)27-34(3,4)38(37,31-21-16-13-17-22-31)32-23-18-14-19-24-32/h13-14,16-19,21-26,29-30,33,36-37H,5-12,15,20,27-28,35H2,1-4H3/b26-25+/t29?,30-,33-/m0/s1
InChIKeyJMCATFPSXRENFT-LKAHVIGMSA-N
XLogP6.96
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.91
LogP ≤ 56.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 23598346
CID 23598346
CID 23598350
CID 23598350
CID 54289472
CID 54289472
CID 59131351
CID 59131351
CID 59759757
CID 59759757
CID 67311547
CID 67311547
CID 68644997
CID 68644997
CID 68903727
CID 68903727
CID 69444652
CID 69444652
CID 69694756
CID 69694756
CID 69695244
CID 69695244
CID 70065427
CID 70065427

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol?
The IUPAC name of (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol (CID 70329000) is (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol.
What is the SMILES notation for (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol?
The canonical SMILES for (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol is CCCCCCCCCCCC(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]-6-methylheptadec-4-en-1-ol?
The InChIKey is JMCATFPSXRENFT-LKAHVIGMSA-N. The full InChI is InChI=1S/C34H55NO2Si/c1-5-6-7-8-9-10-11-12-15-20-29(2)25-26-30(33(35)28-36)27-34(3,4)38(37,31-21-16-13-17-22-31)32-23-18-14-19-24-32/h13-14,16-19,21-26,29-30,33,36-37H,5-12,15,20,27-28,35H2,1-4H3/b26-25+/t29?,30-,33-/m0/s1.
What are the key properties of (E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol?
(E,2R,3R)-2-amino-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-1-ol has a molecular weight of 537.91 g/mol, XLogP of 6.96, 19 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]-6-methylheptadec-4-en-1-ol is sourced from PubChem (CID 70329000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).