2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H25BO2 — CID 132597985

IUPAC2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO2/c1-11(2,3)9-8-10-14-15-12(4,5)13(6,7)16-14/h8,10H,9H2,1-7H3/b10-8+
InChIKeyLEEWEPVDGUQULP-CSKARUKUSA-N
MW224.15 g/mol
LogP3.61
Rot. Bonds2

About 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 132597985) has the molecular formula C13H25BO2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID132597985
Molecular FormulaC13H25BO2
Molecular Weight224.15 g/mol
Exact Mass224.19
IUPAC Name2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO2/c1-11(2,3)9-8-10-14-15-12(4,5)13(6,7)16-14/h8,10H,9H2,1-7H3/b10-8+
InChIKeyLEEWEPVDGUQULP-CSKARUKUSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 132597985) is 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LEEWEPVDGUQULP-CSKARUKUSA-N. The full InChI is InChI=1S/C13H25BO2/c1-11(2,3)9-8-10-14-15-12(4,5)13(6,7)16-14/h8,10H,9H2,1-7H3/b10-8+.
What are the key properties of 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 224.15 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 132597985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).