2-ethylhexoxybenzene;methoxyboronic acid

C15H27BO4 — CID 23293414

IUPAC2-ethylhexoxybenzene;methoxyboronic acid
SMILESCCCCC(CC)COc1ccccc1.COB(O)O
InChIInChI=1S/C14H22O.CH5BO3/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14;1-5-2(3)4/h6-8,10-11,13H,3-5,9,12H2,1-2H3;3-4H,1H3
InChIKeyFXDHRPYLZXXMOP-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.88
Rot. Bonds8

About 2-ethylhexoxybenzene;methoxyboronic acid

2-ethylhexoxybenzene;methoxyboronic acid (PubChem CID 23293414) has the molecular formula C15H27BO4 and a molecular weight of 282.19 g/mol. Its IUPAC name is 2-ethylhexoxybenzene;methoxyboronic acid.

Molecular Properties

Compound Name2-ethylhexoxybenzene;methoxyboronic acid
PubChem CID23293414
Molecular FormulaC15H27BO4
Molecular Weight282.19 g/mol
Exact Mass282.20
IUPAC Name2-ethylhexoxybenzene;methoxyboronic acid
SMILESCCCCC(CC)COc1ccccc1.COB(O)O
InChIInChI=1S/C14H22O.CH5BO3/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14;1-5-2(3)4/h6-8,10-11,13H,3-5,9,12H2,1-2H3;3-4H,1H3
InChIKeyFXDHRPYLZXXMOP-UHFFFAOYSA-N
XLogP2.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
4-ethyl-1-phenoxyoctan-2-amine
CID 63416527
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
2-ethylhexoxy(phenoxy)phosphane
CID 23385803
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene
CID 162495095
1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
CID 91115860
2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
CID 70383117
10-[4-(2-ethylhexoxy)phenyl]phenoxazine
CID 59130069

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxybenzene;methoxyboronic acid?
The IUPAC name of 2-ethylhexoxybenzene;methoxyboronic acid (CID 23293414) is 2-ethylhexoxybenzene;methoxyboronic acid.
What is the SMILES notation for 2-ethylhexoxybenzene;methoxyboronic acid?
The canonical SMILES for 2-ethylhexoxybenzene;methoxyboronic acid is CCCCC(CC)COc1ccccc1.COB(O)O.
What is the InChIKey of 2-ethylhexoxybenzene;methoxyboronic acid?
The InChIKey is FXDHRPYLZXXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.CH5BO3/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14;1-5-2(3)4/h6-8,10-11,13H,3-5,9,12H2,1-2H3;3-4H,1H3.
What are the key properties of 2-ethylhexoxybenzene;methoxyboronic acid?
2-ethylhexoxybenzene;methoxyboronic acid has a molecular weight of 282.19 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxybenzene;methoxyboronic acid is sourced from PubChem (CID 23293414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).