CID 177425016

C18H34BN2Si — CID 177425016

IUPAC—
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1B1C2CCCC1CCC2
InChIInChI=1S/C18H34BN2Si/c1-17(2,3)20-13-14-21(18(4,5)6)22(20)19-15-9-7-10-16(19)12-8-11-15/h13-16H,7-12H2,1-6H3
InChIKeyXTIHYXNVLJNAKJ-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.84
Rot. Bonds1

About CID 177425016

CID 177425016 (PubChem CID 177425016) has the molecular formula C18H34BN2Si and a molecular weight of 317.38 g/mol.

Molecular Properties

Compound NameCID 177425016
PubChem CID177425016
Molecular FormulaC18H34BN2Si
Molecular Weight317.38 g/mol
Exact Mass317.26
IUPAC Name—
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1B1C2CCCC1CCC2
InChIInChI=1S/C18H34BN2Si/c1-17(2,3)20-13-14-21(18(4,5)6)22(20)19-15-9-7-10-16(19)12-8-11-15/h13-16H,7-12H2,1-6H3
InChIKeyXTIHYXNVLJNAKJ-UHFFFAOYSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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9-(2,2-dimethylpropoxy)-9-borabicyclo[3.3.1]nonane
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CID 161041308
(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
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4-tert-butyl-3-(chloromethyl)-5-cyclobutyl-1,2,4-triazole
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trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
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Frequently Asked Questions

What is the IUPAC name of CID 177425016?
The IUPAC name of CID 177425016 (CID 177425016) is not available.
What is the SMILES notation for CID 177425016?
The canonical SMILES for CID 177425016 is CC(C)(C)N1C=CN(C(C)(C)C)[Si]1B1C2CCCC1CCC2.
What is the InChIKey of CID 177425016?
The InChIKey is XTIHYXNVLJNAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34BN2Si/c1-17(2,3)20-13-14-21(18(4,5)6)22(20)19-15-9-7-10-16(19)12-8-11-15/h13-16H,7-12H2,1-6H3.
What are the key properties of CID 177425016?
CID 177425016 has a molecular weight of 317.38 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177425016 is sourced from PubChem (CID 177425016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).