CID 58078375

C14H27BO3Si — CID 58078375

IUPAC—
SMILES[B][C@@H]1O[C@](C=O)(CC)[C@@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BO3Si/c1-8-14(9-16)10(2)11(12(15)17-14)18-19(6,7)13(3,4)5/h9-12H,8H2,1-7H3/t10-,11+,12+,14-/m0/s1
InChIKeyZAEOXLGOWVTFJQ-SFTQSGBHSA-N
MW282.26 g/mol
LogP2.89
Rot. Bonds4

About CID 58078375

CID 58078375 (PubChem CID 58078375) has the molecular formula C14H27BO3Si and a molecular weight of 282.26 g/mol.

Molecular Properties

Compound NameCID 58078375
PubChem CID58078375
Molecular FormulaC14H27BO3Si
Molecular Weight282.26 g/mol
Exact Mass282.18
IUPAC Name—
SMILES[B][C@@H]1O[C@](C=O)(CC)[C@@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BO3Si/c1-8-14(9-16)10(2)11(12(15)17-14)18-19(6,7)13(3,4)5/h9-12H,8H2,1-7H3/t10-,11+,12+,14-/m0/s1
InChIKeyZAEOXLGOWVTFJQ-SFTQSGBHSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 58078375 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 88572294
CID 88572294
CID 88572259
CID 88572259
CID 88871664
CID 88871664
CID 88871663
CID 88871663
(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
CID 57231418
CID 159121099
CID 159121099
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3,4-dihydropyran-6-carbaldehyde
CID 10588142
[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 11465404
CID 88572141
CID 88572141
tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane
CID 24881290
(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebicyclo[3.1.0]hexane-1-carbaldehyde
CID 10912025
(2R,3S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolane-2-carbaldehyde
CID 131743853

Frequently Asked Questions

What is the IUPAC name of CID 58078375?
The IUPAC name of CID 58078375 (CID 58078375) is not available.
What is the SMILES notation for CID 58078375?
The canonical SMILES for CID 58078375 is [B][C@@H]1O[C@](C=O)(CC)[C@@H](C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 58078375?
The InChIKey is ZAEOXLGOWVTFJQ-SFTQSGBHSA-N. The full InChI is InChI=1S/C14H27BO3Si/c1-8-14(9-16)10(2)11(12(15)17-14)18-19(6,7)13(3,4)5/h9-12H,8H2,1-7H3/t10-,11+,12+,14-/m0/s1.
What are the key properties of CID 58078375?
CID 58078375 has a molecular weight of 282.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58078375 is sourced from PubChem (CID 58078375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).