CID 174926465

C16H26BO3 — CID 174926465

IUPAC—
SMILESCCCCC(CC)COc1cc(C)c(O[B]O)c(C)c1
InChIInChI=1S/C16H26BO3/c1-5-7-8-14(6-2)11-19-15-9-12(3)16(20-17-18)13(4)10-15/h9-10,14,18H,5-8,11H2,1-4H3
InChIKeyVDCRBCHHLHMYIC-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.80
Rot. Bonds9

About CID 174926465

CID 174926465 (PubChem CID 174926465) has the molecular formula C16H26BO3 and a molecular weight of 277.19 g/mol.

Molecular Properties

Compound NameCID 174926465
PubChem CID174926465
Molecular FormulaC16H26BO3
Molecular Weight277.19 g/mol
Exact Mass277.20
IUPAC Name—
SMILESCCCCC(CC)COc1cc(C)c(O[B]O)c(C)c1
InChIInChI=1S/C16H26BO3/c1-5-7-8-14(6-2)11-19-15-9-12(3)16(20-17-18)13(4)10-15/h9-10,14,18H,5-8,11H2,1-4H3
InChIKeyVDCRBCHHLHMYIC-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
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4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
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[4-(2-ethylhexoxy)-3-methylphenyl]boronic acid
CID 63549557
lithium;(4-tert-butylphenyl)-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phosphanylmethanone;hydride
CID 173244723
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)-N-methylaniline
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2-ethylhexoxybenzene;methoxyboronic acid
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Frequently Asked Questions

What is the IUPAC name of CID 174926465?
The IUPAC name of CID 174926465 (CID 174926465) is not available.
What is the SMILES notation for CID 174926465?
The canonical SMILES for CID 174926465 is CCCCC(CC)COc1cc(C)c(O[B]O)c(C)c1.
What is the InChIKey of CID 174926465?
The InChIKey is VDCRBCHHLHMYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BO3/c1-5-7-8-14(6-2)11-19-15-9-12(3)16(20-17-18)13(4)10-15/h9-10,14,18H,5-8,11H2,1-4H3.
What are the key properties of CID 174926465?
CID 174926465 has a molecular weight of 277.19 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174926465 is sourced from PubChem (CID 174926465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).