cyclodecen-1-yloxyboronic acid;ethane-1,2-diol

C12H25BO5 — CID 175061754

IUPACcyclodecen-1-yloxyboronic acid;ethane-1,2-diol
SMILESOB(O)OC1=CCCCCCCCC1.OCCO
InChIInChI=1S/C10H19BO3.C2H6O2/c12-11(13)14-10-8-6-4-2-1-3-5-7-9-10;3-1-2-4/h8,12-13H,1-7,9H2;3-4H,1-2H2
InChIKeyQZLAKMSLXSJXOB-UHFFFAOYSA-N
MW260.14 g/mol
LogP0.96
Rot. Bonds3

About cyclodecen-1-yloxyboronic acid;ethane-1,2-diol

cyclodecen-1-yloxyboronic acid;ethane-1,2-diol (PubChem CID 175061754) has the molecular formula C12H25BO5 and a molecular weight of 260.14 g/mol. Its IUPAC name is cyclodecen-1-yloxyboronic acid;ethane-1,2-diol.

Molecular Properties

Compound Namecyclodecen-1-yloxyboronic acid;ethane-1,2-diol
PubChem CID175061754
Molecular FormulaC12H25BO5
Molecular Weight260.14 g/mol
Exact Mass260.18
IUPAC Namecyclodecen-1-yloxyboronic acid;ethane-1,2-diol
SMILESOB(O)OC1=CCCCCCCCC1.OCCO
InChIInChI=1S/C10H19BO3.C2H6O2/c12-11(13)14-10-8-6-4-2-1-3-5-7-9-10;3-1-2-4/h8,12-13H,1-7,9H2;3-4H,1-2H2
InChIKeyQZLAKMSLXSJXOB-UHFFFAOYSA-N
XLogP0.96
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol
CID 175063130
2-[(1E)-cycloocten-1-yl]oxyethanol
CID 170306733
[(1Z)-cyclododecen-1-yl]oxy-diethylborane
CID 21482455
(1E)-1-methoxycyclotridecene
CID 5463530
(1E)-1-methoxycyclotetradecene
CID 164771746
(1E)-1-ethoxycyclodecene
CID 164771748
(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
dicyclododecen-1-yl butanedioate
CID 70131670
cyclobuten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol
CID 175069216
cyclohexen-1-yl hypoiodite
CID 145005942
3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol
CID 106651390
cyclododecen-1-ylmethanol
CID 70464862

Frequently Asked Questions

What is the IUPAC name of cyclodecen-1-yloxyboronic acid;ethane-1,2-diol?
The IUPAC name of cyclodecen-1-yloxyboronic acid;ethane-1,2-diol (CID 175061754) is cyclodecen-1-yloxyboronic acid;ethane-1,2-diol.
What is the SMILES notation for cyclodecen-1-yloxyboronic acid;ethane-1,2-diol?
The canonical SMILES for cyclodecen-1-yloxyboronic acid;ethane-1,2-diol is OB(O)OC1=CCCCCCCCC1.OCCO.
What is the InChIKey of cyclodecen-1-yloxyboronic acid;ethane-1,2-diol?
The InChIKey is QZLAKMSLXSJXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO3.C2H6O2/c12-11(13)14-10-8-6-4-2-1-3-5-7-9-10;3-1-2-4/h8,12-13H,1-7,9H2;3-4H,1-2H2.
What are the key properties of cyclodecen-1-yloxyboronic acid;ethane-1,2-diol?
cyclodecen-1-yloxyboronic acid;ethane-1,2-diol has a molecular weight of 260.14 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecen-1-yloxyboronic acid;ethane-1,2-diol is sourced from PubChem (CID 175061754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).