3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane

C13H25B — CID 168996952

IUPAC3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane
SMILESCCC/C=C/B1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C13H25B/c1-6-7-8-9-14-10-12(2,3)13(4,5)11-14/h8-9H,6-7,10-11H2,1-5H3/b9-8+
InChIKeyHHKMZGQLROVKED-CMDGGOBGSA-N
MW192.15 g/mol
LogP4.44
Rot. Bonds3

About 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane

3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane (PubChem CID 168996952) has the molecular formula C13H25B and a molecular weight of 192.15 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane
PubChem CID168996952
Molecular FormulaC13H25B
Molecular Weight192.15 g/mol
Exact Mass192.20
IUPAC Name3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane
SMILESCCC/C=C/B1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C13H25B/c1-6-7-8-9-14-10-12(2,3)13(4,5)11-14/h8-9H,6-7,10-11H2,1-5H3/b9-8+
InChIKeyHHKMZGQLROVKED-CMDGGOBGSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-But-1-enyl-3,3,4,4-tetramethylborolane
CID 91376659
4-tert-butyl-1-(2,2-dimethylpropyl)-4H-borinine
CID 140994031
4-tert-butyl-1-ethyl-4H-borinine
CID 140994050
4-tert-butyl-1-methyl-4H-borinine
CID 140994055
Methane;prop-1-ene;3,3,4,4-tetramethylpent-1-ene
CID 142214400
3,3,4,4-Tetramethyl-1-prop-2-enylborolane
CID 162772538
CID 173753541
CID 173753541
2,2-Dimethylpent-4-enyl-ethyl-methylborane
CID 173841852
1-But-1-en-2-yl-3,3,4,4-tetramethylborolane
CID 177965366
ethane;3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane
CID 178177224

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane?
The IUPAC name of 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane (CID 168996952) is 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane?
The canonical SMILES for 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane is CCC/C=C/B1CC(C)(C)C(C)(C)C1.
What is the InChIKey of 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane?
The InChIKey is HHKMZGQLROVKED-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H25B/c1-6-7-8-9-14-10-12(2,3)13(4,5)11-14/h8-9H,6-7,10-11H2,1-5H3/b9-8+.
What are the key properties of 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane?
3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane has a molecular weight of 192.15 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane is sourced from PubChem (CID 168996952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).