CID 159121099

C14H29BO5P2SSi — CID 159121099

IUPAC—
SMILES[B][C@@H]1O[C@]2(COP(C)(=O)SC2)C(OPC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BO5P2SSi/c1-13(2,3)24(6,7)20-10-11(19-21-4)14(18-12(10)15)8-17-22(5,16)23-9-14/h10-12,21H,8-9H2,1-7H3/t10-,11?,12+,14-,22?/m0/s1
InChIKeyXOOJCTFURHMQTH-SMRPEHFQSA-N
MW410.29 g/mol
LogP3.84
Rot. Bonds4

About CID 159121099

CID 159121099 (PubChem CID 159121099) has the molecular formula C14H29BO5P2SSi and a molecular weight of 410.29 g/mol.

Molecular Properties

Compound NameCID 159121099
PubChem CID159121099
Molecular FormulaC14H29BO5P2SSi
Molecular Weight410.29 g/mol
Exact Mass410.11
IUPAC Name—
SMILES[B][C@@H]1O[C@]2(COP(C)(=O)SC2)C(OPC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BO5P2SSi/c1-13(2,3)24(6,7)20-10-11(19-21-4)14(18-12(10)15)8-17-22(5,16)23-9-14/h10-12,21H,8-9H2,1-7H3/t10-,11?,12+,14-,22?/m0/s1
InChIKeyXOOJCTFURHMQTH-SMRPEHFQSA-N
XLogP3.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 159121099 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 88572259
CID 88572259
CID 58078375
CID 58078375
CID 88572294
CID 88572294
CID 88871663
CID 88871663
CID 146029384
CID 146029384
CID 88871664
CID 88871664
(1S,2R,3R,7R,8S,9R)-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5-dimethyl-4,6,10-trioxatricyclo[7.2.1.03,7]dodecan-11-one
CID 11091946
[(1R,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 14408406
CID 88572141
CID 88572141
(4S,6S,7S,8R,9R)-7,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-3,6-dimethyl-5-oxaspiro[3.5]nonan-2-one
CID 134866555
methyl (2S,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyoxane-2-carboxylate
CID 166001717
methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate
CID 100984961

Frequently Asked Questions

What is the IUPAC name of CID 159121099?
The IUPAC name of CID 159121099 (CID 159121099) is not available.
What is the SMILES notation for CID 159121099?
The canonical SMILES for CID 159121099 is [B][C@@H]1O[C@]2(COP(C)(=O)SC2)C(OPC)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 159121099?
The InChIKey is XOOJCTFURHMQTH-SMRPEHFQSA-N. The full InChI is InChI=1S/C14H29BO5P2SSi/c1-13(2,3)24(6,7)20-10-11(19-21-4)14(18-12(10)15)8-17-22(5,16)23-9-14/h10-12,21H,8-9H2,1-7H3/t10-,11?,12+,14-,22?/m0/s1.
What are the key properties of CID 159121099?
CID 159121099 has a molecular weight of 410.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159121099 is sourced from PubChem (CID 159121099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).