CID 89415965

C12H26BO — CID 89415965

IUPAC—
SMILESC[B][C@H](CCCC)CCCC(O)CC
InChIInChI=1S/C12H26BO/c1-4-6-8-11(13-3)9-7-10-12(14)5-2/h11-12,14H,4-10H2,1-3H3/t11-,12?/m1/s1
InChIKeyZTLJKKHDAXMHMW-JHJMLUEUSA-N
MW197.15 g/mol
LogP3.66
Rot. Bonds9

About CID 89415965

CID 89415965 (PubChem CID 89415965) has the molecular formula C12H26BO and a molecular weight of 197.15 g/mol.

Molecular Properties

Compound NameCID 89415965
PubChem CID89415965
Molecular FormulaC12H26BO
Molecular Weight197.15 g/mol
Exact Mass197.21
IUPAC Name—
SMILESC[B][C@H](CCCC)CCCC(O)CC
InChIInChI=1S/C12H26BO/c1-4-6-8-11(13-3)9-7-10-12(14)5-2/h11-12,14H,4-10H2,1-3H3/t11-,12?/m1/s1
InChIKeyZTLJKKHDAXMHMW-JHJMLUEUSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11819078
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CID 164810293
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octadecane-5,9,10,14-tetrol
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Frequently Asked Questions

What is the IUPAC name of CID 89415965?
The IUPAC name of CID 89415965 (CID 89415965) is not available.
What is the SMILES notation for CID 89415965?
The canonical SMILES for CID 89415965 is C[B][C@H](CCCC)CCCC(O)CC.
What is the InChIKey of CID 89415965?
The InChIKey is ZTLJKKHDAXMHMW-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H26BO/c1-4-6-8-11(13-3)9-7-10-12(14)5-2/h11-12,14H,4-10H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of CID 89415965?
CID 89415965 has a molecular weight of 197.15 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89415965 is sourced from PubChem (CID 89415965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).