hexoxy-hexyl-methylborane

C13H29BO — CID 102060099

IUPAChexoxy-hexyl-methylborane
SMILESCCCCCCOB(C)CCCCCC
InChIInChI=1S/C13H29BO/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyLCJDWHINJDUVLL-UHFFFAOYSA-N
MW212.19 g/mol
LogP4.78
Rot. Bonds11

About hexoxy-hexyl-methylborane

hexoxy-hexyl-methylborane (PubChem CID 102060099) has the molecular formula C13H29BO and a molecular weight of 212.19 g/mol. Its IUPAC name is hexoxy-hexyl-methylborane.

Molecular Properties

Compound Namehexoxy-hexyl-methylborane
PubChem CID102060099
Molecular FormulaC13H29BO
Molecular Weight212.19 g/mol
Exact Mass212.23
IUPAC Namehexoxy-hexyl-methylborane
SMILESCCCCCCOB(C)CCCCCC
InChIInChI=1S/C13H29BO/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyLCJDWHINJDUVLL-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

trihexyl borate
CID 21423
ethyl(dihexoxy)borane
CID 12007808
di(nonoxy)borinic acid
CID 150530087
nonadecoxyboronic acid
CID 154133434
azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
heptyl(dimethyl)borane
CID 123843147
CID 123245055
CID 123245055
decane;ruthenium
CID 160818595
tridecoxyboronic acid;tridodecyl borate
CID 174050200
tri(nonyl)borane
CID 12793706
1-heptoxydocosane
CID 91692957

Frequently Asked Questions

What is the IUPAC name of hexoxy-hexyl-methylborane?
The IUPAC name of hexoxy-hexyl-methylborane (CID 102060099) is hexoxy-hexyl-methylborane.
What is the SMILES notation for hexoxy-hexyl-methylborane?
The canonical SMILES for hexoxy-hexyl-methylborane is CCCCCCOB(C)CCCCCC.
What is the InChIKey of hexoxy-hexyl-methylborane?
The InChIKey is LCJDWHINJDUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BO/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h4-13H2,1-3H3.
What are the key properties of hexoxy-hexyl-methylborane?
hexoxy-hexyl-methylborane has a molecular weight of 212.19 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-hexyl-methylborane is sourced from PubChem (CID 102060099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).