CID 90145135

C18H36BN3O4Si2 — CID 90145135

IUPAC—
SMILES[B][C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@@]1(C)N=[N+]=[N-]
InChIInChI=1S/C18H36BN3O4Si2/c1-11(2)27(12(3)4)23-10-15-16(18(9,21-22-20)17(19)24-15)25-28(26-27,13(5)6)14(7)8/h11-17H,10H2,1-9H3/t15-,16-,17-,18-/m1/s1
InChIKeyWEFFZAQKRWJRNM-BRSBDYLESA-N
MW425.49 g/mol
LogP4.91
Rot. Bonds5

About CID 90145135

CID 90145135 (PubChem CID 90145135) has the molecular formula C18H36BN3O4Si2 and a molecular weight of 425.49 g/mol.

Molecular Properties

Compound NameCID 90145135
PubChem CID90145135
Molecular FormulaC18H36BN3O4Si2
Molecular Weight425.49 g/mol
Exact Mass425.23
IUPAC Name—
SMILES[B][C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@@]1(C)N=[N+]=[N-]
InChIInChI=1S/C18H36BN3O4Si2/c1-11(2)27(12(3)4)23-10-15-16(18(9,21-22-20)17(19)24-15)25-28(26-27,13(5)6)14(7)8/h11-17H,10H2,1-9H3/t15-,16-,17-,18-/m1/s1
InChIKeyWEFFZAQKRWJRNM-BRSBDYLESA-N
XLogP4.91
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 59925272
CID 59925272
(6aR,8S,9S)-9-chloro-8-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-9-carbaldehyde
CID 159067067
(6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 153493511
(6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol
CID 101274072
(6aR,9R,9aS)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 174064375
(6aR,8S,9aS)-8-(4-iodophenyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 46178119
(6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 90814372
CID 58193048
CID 58193048
(6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
CID 10972165
1-[(6aR,9aR)-9,9-difluoro-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-aminopyrimidin-2-one
CID 90427328
(6aR,8R,9aS)-9-chloro-8-(2,4-dioxopyrimidin-1-yl)-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-9-carbaldehyde;1-[(6aR,8R,9S,9aS)-3'-chloro-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-9,2'-oxirane]-8-yl]pyrimidine-2,4-dione
CID 161411792
1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-sulfanylidenepyrimidin-2-one
CID 175677702

Frequently Asked Questions

What is the IUPAC name of CID 90145135?
The IUPAC name of CID 90145135 (CID 90145135) is not available.
What is the SMILES notation for CID 90145135?
The canonical SMILES for CID 90145135 is [B][C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@@]1(C)N=[N+]=[N-].
What is the InChIKey of CID 90145135?
The InChIKey is WEFFZAQKRWJRNM-BRSBDYLESA-N. The full InChI is InChI=1S/C18H36BN3O4Si2/c1-11(2)27(12(3)4)23-10-15-16(18(9,21-22-20)17(19)24-15)25-28(26-27,13(5)6)14(7)8/h11-17H,10H2,1-9H3/t15-,16-,17-,18-/m1/s1.
What are the key properties of CID 90145135?
CID 90145135 has a molecular weight of 425.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90145135 is sourced from PubChem (CID 90145135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).