[(1Z)-cyclododecen-1-yl]oxy-diethylborane

C16H31BO — CID 21482455

IUPAC[(1Z)-cyclododecen-1-yl]oxy-diethylborane
SMILESCCB(CC)O/C1=C\CCCCCCCCCC1
InChIInChI=1S/C16H31BO/c1-3-17(4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3/b16-14-
InChIKeyUYQCVXPNDYZJKA-PEZBUJJGSA-N
MW250.23 g/mol
LogP5.83
Rot. Bonds4

About [(1Z)-cyclododecen-1-yl]oxy-diethylborane

[(1Z)-cyclododecen-1-yl]oxy-diethylborane (PubChem CID 21482455) has the molecular formula C16H31BO and a molecular weight of 250.23 g/mol. Its IUPAC name is [(1Z)-cyclododecen-1-yl]oxy-diethylborane.

Molecular Properties

Compound Name[(1Z)-cyclododecen-1-yl]oxy-diethylborane
PubChem CID21482455
Molecular FormulaC16H31BO
Molecular Weight250.23 g/mol
Exact Mass250.25
IUPAC Name[(1Z)-cyclododecen-1-yl]oxy-diethylborane
SMILESCCB(CC)O/C1=C\CCCCCCCCCC1
InChIInChI=1S/C16H31BO/c1-3-17(4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3/b16-14-
InChIKeyUYQCVXPNDYZJKA-PEZBUJJGSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.23
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
cyclodecen-1-yloxyboronic acid;ethane-1,2-diol
CID 175061754
(1E)-1-methoxycyclotridecene
CID 5463530
(1E)-1-methoxycyclotetradecene
CID 164771746
cycloocten-1-yloxyboronic acid;2,3-dimethylbutane-2,3-diol
CID 175063130
1-ethylperoxycyclohexene
CID 140972894
2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine
CID 23238003
1-butylperoxycyclohexene
CID 150169078
cyclohexen-1-yl hypoiodite
CID 145005942
2-[(1E)-cycloocten-1-yl]oxyethanol
CID 170306733
dicyclododecen-1-yl butanedioate
CID 70131670

Frequently Asked Questions

What is the IUPAC name of [(1Z)-cyclododecen-1-yl]oxy-diethylborane?
The IUPAC name of [(1Z)-cyclododecen-1-yl]oxy-diethylborane (CID 21482455) is [(1Z)-cyclododecen-1-yl]oxy-diethylborane.
What is the SMILES notation for [(1Z)-cyclododecen-1-yl]oxy-diethylborane?
The canonical SMILES for [(1Z)-cyclododecen-1-yl]oxy-diethylborane is CCB(CC)O/C1=C\CCCCCCCCCC1.
What is the InChIKey of [(1Z)-cyclododecen-1-yl]oxy-diethylborane?
The InChIKey is UYQCVXPNDYZJKA-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H31BO/c1-3-17(4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3/b16-14-.
What are the key properties of [(1Z)-cyclododecen-1-yl]oxy-diethylborane?
[(1Z)-cyclododecen-1-yl]oxy-diethylborane has a molecular weight of 250.23 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-cyclododecen-1-yl]oxy-diethylborane is sourced from PubChem (CID 21482455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).