CID 175209304

C12H28B2O3 — CID 175209304

IUPAC—
SMILESCCCCCCCCCCCC.O[B]O[B]O
InChIInChI=1S/C12H26.B2H2O3/c1-3-5-7-9-11-12-10-8-6-4-2;3-1-5-2-4/h3-12H2,1-2H3;3-4H
InChIKeySWAVSRAEVZFFDH-UHFFFAOYSA-N
MW241.98 g/mol
LogP2.98
Rot. Bonds11

About CID 175209304

CID 175209304 (PubChem CID 175209304) has the molecular formula C12H28B2O3 and a molecular weight of 241.98 g/mol.

Molecular Properties

Compound NameCID 175209304
PubChem CID175209304
Molecular FormulaC12H28B2O3
Molecular Weight241.98 g/mol
Exact Mass242.22
IUPAC Name—
SMILESCCCCCCCCCCCC.O[B]O[B]O
InChIInChI=1S/C12H26.B2H2O3/c1-3-5-7-9-11-12-10-8-6-4-2;3-1-5-2-4/h3-12H2,1-2H3;3-4H
InChIKeySWAVSRAEVZFFDH-UHFFFAOYSA-N
XLogP2.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.98
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decane;ruthenium
CID 160818595
methanol;undecane
CID 161373911
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of CID 175209304?
The IUPAC name of CID 175209304 (CID 175209304) is not available.
What is the SMILES notation for CID 175209304?
The canonical SMILES for CID 175209304 is CCCCCCCCCCCC.O[B]O[B]O.
What is the InChIKey of CID 175209304?
The InChIKey is SWAVSRAEVZFFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.B2H2O3/c1-3-5-7-9-11-12-10-8-6-4-2;3-1-5-2-4/h3-12H2,1-2H3;3-4H.
What are the key properties of CID 175209304?
CID 175209304 has a molecular weight of 241.98 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175209304 is sourced from PubChem (CID 175209304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).