CID 134903451

C18H33BLi — CID 134903451

IUPAC—
SMILESC1CCC([B-](C2CCCCC2)C2CCCCC2)CC1.[Li+]
InChIInChI=1S/C18H33B.Li/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/q-1;+1
InChIKeyRZGQQWMSRJJXLY-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.49
Rot. Bonds3

About CID 134903451

CID 134903451 (PubChem CID 134903451) has the molecular formula C18H33BLi and a molecular weight of 267.21 g/mol.

Molecular Properties

Compound NameCID 134903451
PubChem CID134903451
Molecular FormulaC18H33BLi
Molecular Weight267.21 g/mol
Exact Mass267.28
IUPAC Name—
SMILESC1CCC([B-](C2CCCCC2)C2CCCCC2)CC1.[Li+]
InChIInChI=1S/C18H33B.Li/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/q-1;+1
InChIKeyRZGQQWMSRJJXLY-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134903451?
The IUPAC name of CID 134903451 (CID 134903451) is not available.
What is the SMILES notation for CID 134903451?
The canonical SMILES for CID 134903451 is C1CCC([B-](C2CCCCC2)C2CCCCC2)CC1.[Li+].
What is the InChIKey of CID 134903451?
The InChIKey is RZGQQWMSRJJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33B.Li/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/q-1;+1.
What are the key properties of CID 134903451?
CID 134903451 has a molecular weight of 267.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134903451 is sourced from PubChem (CID 134903451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).