cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane

C17H33BO — CID 10355427

IUPACcyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane
SMILESCCCCCB(OC1=CCCCC1)C(C)(C)C(C)C
InChIInChI=1S/C17H33BO/c1-6-7-11-14-18(17(4,5)15(2)3)19-16-12-9-8-10-13-16/h12,15H,6-11,13-14H2,1-5H3
InChIKeyLGGAEAVJQNSXJY-UHFFFAOYSA-N
MW264.26 g/mol
LogP6.08
Rot. Bonds8

About cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane

cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane (PubChem CID 10355427) has the molecular formula C17H33BO and a molecular weight of 264.26 g/mol. Its IUPAC name is cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane.

Molecular Properties

Compound Namecyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane
PubChem CID10355427
Molecular FormulaC17H33BO
Molecular Weight264.26 g/mol
Exact Mass264.26
IUPAC Namecyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane
SMILESCCCCCB(OC1=CCCCC1)C(C)(C)C(C)C
InChIInChI=1S/C17H33BO/c1-6-7-11-14-18(17(4,5)15(2)3)19-16-12-9-8-10-13-16/h12,15H,6-11,13-14H2,1-5H3
InChIKeyLGGAEAVJQNSXJY-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.26
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane?
The IUPAC name of cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane (CID 10355427) is cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane.
What is the SMILES notation for cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane?
The canonical SMILES for cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane is CCCCCB(OC1=CCCCC1)C(C)(C)C(C)C.
What is the InChIKey of cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane?
The InChIKey is LGGAEAVJQNSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BO/c1-6-7-11-14-18(17(4,5)15(2)3)19-16-12-9-8-10-13-16/h12,15H,6-11,13-14H2,1-5H3.
What are the key properties of cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane?
cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane has a molecular weight of 264.26 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yloxy-(2,3-dimethylbutan-2-yl)-pentylborane is sourced from PubChem (CID 10355427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).