cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol

C14H29BO5 — CID 175063130

IUPACcycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol
SMILESCC(C)(O)C(C)(C)O.OB(O)OC1=CCCCCCC1
InChIInChI=1S/C8H15BO3.C6H14O2/c10-9(11)12-8-6-4-2-1-3-5-7-8;1-5(2,7)6(3,4)8/h6,10-11H,1-5,7H2;7-8H,1-4H3
InChIKeyRLOJHBHDBLTTEN-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.74
Rot. Bonds3

About cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol

cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol (PubChem CID 175063130) has the molecular formula C14H29BO5 and a molecular weight of 288.19 g/mol. Its IUPAC name is cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol.

Molecular Properties

Compound Namecycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol
PubChem CID175063130
Molecular FormulaC14H29BO5
Molecular Weight288.19 g/mol
Exact Mass288.21
IUPAC Namecycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol
SMILESCC(C)(O)C(C)(C)O.OB(O)OC1=CCCCCCC1
InChIInChI=1S/C8H15BO3.C6H14O2/c10-9(11)12-8-6-4-2-1-3-5-7-8;1-5(2,7)6(3,4)8/h6,10-11H,1-5,7H2;7-8H,1-4H3
InChIKeyRLOJHBHDBLTTEN-UHFFFAOYSA-N
XLogP1.74
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobuten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol
CID 175069216
cyclodecen-1-yloxyboronic acid;ethane-1,2-diol
CID 175061754
[(1Z)-cyclododecen-1-yl]oxy-diethylborane
CID 21482455
cyclohepten-1-yl-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 56845034
(1E)-1-methoxycyclotridecene
CID 5463530
(1E)-1-methoxycyclotetradecene
CID 164771746
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol
CID 106651390
(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
cyclohexen-1-yl hypoiodite
CID 145005942

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol?
The IUPAC name of cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol (CID 175063130) is cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol.
What is the SMILES notation for cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol?
The canonical SMILES for cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol is CC(C)(O)C(C)(C)O.OB(O)OC1=CCCCCCC1.
What is the InChIKey of cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol?
The InChIKey is RLOJHBHDBLTTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO3.C6H14O2/c10-9(11)12-8-6-4-2-1-3-5-7-8;1-5(2,7)6(3,4)8/h6,10-11H,1-5,7H2;7-8H,1-4H3.
What are the key properties of cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol?
cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol has a molecular weight of 288.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol is sourced from PubChem (CID 175063130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).