CID 66680973

C11H25BO3PSi — CID 66680973

IUPAC—
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H]([B]P)O[C@@H]1CO
InChIInChI=1S/C11H25BO3PSi/c1-11(2,3)17(4,5)15-8-6-10(12-16)14-9(8)7-13/h8-10,13H,6-7,16H2,1-5H3/t8?,9-,10-/m1/s1
InChIKeyDCINEHBERJHMMC-VXRWAFEHSA-N
MW275.19 g/mol
LogP1.98
Rot. Bonds4

About CID 66680973

CID 66680973 (PubChem CID 66680973) has the molecular formula C11H25BO3PSi and a molecular weight of 275.19 g/mol.

Molecular Properties

Compound NameCID 66680973
PubChem CID66680973
Molecular FormulaC11H25BO3PSi
Molecular Weight275.19 g/mol
Exact Mass275.14
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H]([B]P)O[C@@H]1CO
InChIInChI=1S/C11H25BO3PSi/c1-11(2,3)17(4,5)15-8-6-10(12-16)14-9(8)7-13/h8-10,13H,6-7,16H2,1-5H3/t8?,9-,10-/m1/s1
InChIKeyDCINEHBERJHMMC-VXRWAFEHSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
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[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
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3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol
CID 102266258
CID 159068194
CID 159068194
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
[(2R,3S,4aR,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methanol
CID 102161865
CID 88871664
CID 88871664
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 174085318
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of CID 66680973?
The IUPAC name of CID 66680973 (CID 66680973) is not available.
What is the SMILES notation for CID 66680973?
The canonical SMILES for CID 66680973 is CC(C)(C)[Si](C)(C)OC1C[C@H]([B]P)O[C@@H]1CO.
What is the InChIKey of CID 66680973?
The InChIKey is DCINEHBERJHMMC-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H25BO3PSi/c1-11(2,3)17(4,5)15-8-6-10(12-16)14-9(8)7-13/h8-10,13H,6-7,16H2,1-5H3/t8?,9-,10-/m1/s1.
What are the key properties of CID 66680973?
CID 66680973 has a molecular weight of 275.19 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66680973 is sourced from PubChem (CID 66680973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).