CID 154465830

C17H27BN2O2Si — CID 154465830

IUPAC—
SMILES[B]c1cc2c(N(C)CCCO[Si](C)(C)C(C)(C)C)nccc2o1
InChIInChI=1S/C17H27BN2O2Si/c1-17(2,3)23(5,6)21-11-7-10-20(4)16-13-12-15(18)22-14(13)8-9-19-16/h8-9,12H,7,10-11H2,1-6H3
InChIKeyUTDBXWWPSGMXRF-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.47
Rot. Bonds6

About CID 154465830

CID 154465830 (PubChem CID 154465830) has the molecular formula C17H27BN2O2Si and a molecular weight of 330.31 g/mol.

Molecular Properties

Compound NameCID 154465830
PubChem CID154465830
Molecular FormulaC17H27BN2O2Si
Molecular Weight330.31 g/mol
Exact Mass330.19
IUPAC Name—
SMILES[B]c1cc2c(N(C)CCCO[Si](C)(C)C(C)(C)C)nccc2o1
InChIInChI=1S/C17H27BN2O2Si/c1-17(2,3)23(5,6)21-11-7-10-20(4)16-13-12-15(18)22-14(13)8-9-19-16/h8-9,12H,7,10-11H2,1-6H3
InChIKeyUTDBXWWPSGMXRF-UHFFFAOYSA-N
XLogP3.47
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154465830?
The IUPAC name of CID 154465830 (CID 154465830) is not available.
What is the SMILES notation for CID 154465830?
The canonical SMILES for CID 154465830 is [B]c1cc2c(N(C)CCCO[Si](C)(C)C(C)(C)C)nccc2o1.
What is the InChIKey of CID 154465830?
The InChIKey is UTDBXWWPSGMXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BN2O2Si/c1-17(2,3)23(5,6)21-11-7-10-20(4)16-13-12-15(18)22-14(13)8-9-19-16/h8-9,12H,7,10-11H2,1-6H3.
What are the key properties of CID 154465830?
CID 154465830 has a molecular weight of 330.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154465830 is sourced from PubChem (CID 154465830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).