CID 57286105

C14H30BO2 — CID 57286105

IUPAC—
SMILESCCCCCCCO[B]OCCCCCCC
InChIInChI=1S/C14H30BO2/c1-3-5-7-9-11-13-16-15-17-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyCYACWDJAQZGYCF-UHFFFAOYSA-N
MW241.20 g/mol
LogP4.49
Rot. Bonds14

About CID 57286105

CID 57286105 (PubChem CID 57286105) has the molecular formula C14H30BO2 and a molecular weight of 241.20 g/mol.

Molecular Properties

Compound NameCID 57286105
PubChem CID57286105
Molecular FormulaC14H30BO2
Molecular Weight241.20 g/mol
Exact Mass241.23
IUPAC Name—
SMILESCCCCCCCO[B]OCCCCCCC
InChIInChI=1S/C14H30BO2/c1-3-5-7-9-11-13-16-15-17-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyCYACWDJAQZGYCF-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of CID 57286105?
The IUPAC name of CID 57286105 (CID 57286105) is not available.
What is the SMILES notation for CID 57286105?
The canonical SMILES for CID 57286105 is CCCCCCCO[B]OCCCCCCC.
What is the InChIKey of CID 57286105?
The InChIKey is CYACWDJAQZGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BO2/c1-3-5-7-9-11-13-16-15-17-14-12-10-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of CID 57286105?
CID 57286105 has a molecular weight of 241.20 g/mol, XLogP of 4.49, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57286105 is sourced from PubChem (CID 57286105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).