cycloheptyloxy-ethoxy-phenylborane

C15H23BO2 — CID 140751556

IUPACcycloheptyloxy-ethoxy-phenylborane
SMILESCCOB(OC1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H23BO2/c1-2-17-16(14-10-6-5-7-11-14)18-15-12-8-3-4-9-13-15/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3
InChIKeyWOTVWJJCWOHKAI-UHFFFAOYSA-N
MW246.16 g/mol
LogP3.16
Rot. Bonds5

About cycloheptyloxy-ethoxy-phenylborane

cycloheptyloxy-ethoxy-phenylborane (PubChem CID 140751556) has the molecular formula C15H23BO2 and a molecular weight of 246.16 g/mol. Its IUPAC name is cycloheptyloxy-ethoxy-phenylborane.

Molecular Properties

Compound Namecycloheptyloxy-ethoxy-phenylborane
PubChem CID140751556
Molecular FormulaC15H23BO2
Molecular Weight246.16 g/mol
Exact Mass246.18
IUPAC Namecycloheptyloxy-ethoxy-phenylborane
SMILESCCOB(OC1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H23BO2/c1-2-17-16(14-10-6-5-7-11-14)18-15-12-8-3-4-9-13-15/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3
InChIKeyWOTVWJJCWOHKAI-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyloxy(phenyl)borinic acid
CID 140751557
[methoxy(phenyl)boranyl] formate
CID 174989602
1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine
CID 23318357
diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane
CID 15568391
(1-azido-2-phenylethoxy)cyclododecane
CID 102284473
tert-butylperoxycyclohexane;ethylbenzene
CID 175601662
ethoxycyclooctane
CID 13427982
cyclooctyl benzenesulfonate
CID 89439910
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302
1,2-dicyclohexyloxybenzene
CID 67331328
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
N-cyclopentyloxy-2-phenylsulfanylethanamine
CID 83235558

Frequently Asked Questions

What is the IUPAC name of cycloheptyloxy-ethoxy-phenylborane?
The IUPAC name of cycloheptyloxy-ethoxy-phenylborane (CID 140751556) is cycloheptyloxy-ethoxy-phenylborane.
What is the SMILES notation for cycloheptyloxy-ethoxy-phenylborane?
The canonical SMILES for cycloheptyloxy-ethoxy-phenylborane is CCOB(OC1CCCCCC1)c1ccccc1.
What is the InChIKey of cycloheptyloxy-ethoxy-phenylborane?
The InChIKey is WOTVWJJCWOHKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO2/c1-2-17-16(14-10-6-5-7-11-14)18-15-12-8-3-4-9-13-15/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3.
What are the key properties of cycloheptyloxy-ethoxy-phenylborane?
cycloheptyloxy-ethoxy-phenylborane has a molecular weight of 246.16 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyloxy-ethoxy-phenylborane is sourced from PubChem (CID 140751556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).