CID 89338141

C19H41BNO4PSi — CID 89338141

IUPAC—
SMILES[B][C@@H]1OC(CO[Si](CC)(CC)CC)[C@H](OP(OC)N(C(C)C)C(C)C)C1C
InChIInChI=1S/C19H41BNO4PSi/c1-10-27(11-2,12-3)23-13-17-18(16(8)19(20)24-17)25-26(22-9)21(14(4)5)15(6)7/h14-19H,10-13H2,1-9H3/t16?,17?,18-,19-,26?/m1/s1
InChIKeyVBASYANVZLKKBU-SREVVUGCSA-N
MW417.41 g/mol
LogP4.91
Rot. Bonds12

About CID 89338141

CID 89338141 (PubChem CID 89338141) has the molecular formula C19H41BNO4PSi and a molecular weight of 417.41 g/mol.

Molecular Properties

Compound NameCID 89338141
PubChem CID89338141
Molecular FormulaC19H41BNO4PSi
Molecular Weight417.41 g/mol
Exact Mass417.26
IUPAC Name—
SMILES[B][C@@H]1OC(CO[Si](CC)(CC)CC)[C@H](OP(OC)N(C(C)C)C(C)C)C1C
InChIInChI=1S/C19H41BNO4PSi/c1-10-27(11-2,12-3)23-13-17-18(16(8)19(20)24-17)25-26(22-9)21(14(4)5)15(6)7/h14-19H,10-13H2,1-9H3/t16?,17?,18-,19-,26?/m1/s1
InChIKeyVBASYANVZLKKBU-SREVVUGCSA-N
XLogP4.91
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 59628392
N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 102094013
CID 23594186
CID 23594186
CID 88871663
CID 88871663
CID 59905781
CID 59905781
CID 58112494
CID 58112494
N-[[(2R,3R,4S,5S)-2-(deuteriomethyl)-4-methoxy-5-methyloxolan-3-yl]oxy-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 161165198
CID 88533246
CID 88533246
3-[[di(propan-2-yl)amino]-[(2R,4S,5R)-2-(methoxymethyl)-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxypropanenitrile
CID 58689689
CID 59628408
CID 59628408

Frequently Asked Questions

What is the IUPAC name of CID 89338141?
The IUPAC name of CID 89338141 (CID 89338141) is not available.
What is the SMILES notation for CID 89338141?
The canonical SMILES for CID 89338141 is [B][C@@H]1OC(CO[Si](CC)(CC)CC)[C@H](OP(OC)N(C(C)C)C(C)C)C1C.
What is the InChIKey of CID 89338141?
The InChIKey is VBASYANVZLKKBU-SREVVUGCSA-N. The full InChI is InChI=1S/C19H41BNO4PSi/c1-10-27(11-2,12-3)23-13-17-18(16(8)19(20)24-17)25-26(22-9)21(14(4)5)15(6)7/h14-19H,10-13H2,1-9H3/t16?,17?,18-,19-,26?/m1/s1.
What are the key properties of CID 89338141?
CID 89338141 has a molecular weight of 417.41 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89338141 is sourced from PubChem (CID 89338141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).