2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H20BIO2 — CID 15748689

IUPAC2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CCCI)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BIO2/c1-9(7-6-8-13)12-14-10(2,3)11(4,5)15-12/h1,6-8H2,2-5H3
InChIKeyPVQHWRJXYAWCIQ-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.39
Rot. Bonds4

About 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 15748689) has the molecular formula C11H20BIO2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID15748689
Molecular FormulaC11H20BIO2
Molecular Weight322.00 g/mol
Exact Mass322.06
IUPAC Name2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CCCI)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BIO2/c1-9(7-6-8-13)12-14-10(2,3)11(4,5)15-12/h1,6-8H2,2-5H3
InChIKeyPVQHWRJXYAWCIQ-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-2-yl)-1,3,2-dioxaborolane
CID 154712902
4,4,5,5-Tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221109
2-(But-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86724022
2-(4,4-Dimethylpent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165999832
4-Pentenylboronic acid pinacol ester
CID 15260003
(E)-2-(3-iodoprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86676860
2-[(E)-1-iodo-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87191067
2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10958627
(E)-6-Iodo-1-hexene-1-boronic Acid Pinacol Ester
CID 15260001

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 15748689) is 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(CCCI)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PVQHWRJXYAWCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BIO2/c1-9(7-6-8-13)12-14-10(2,3)11(4,5)15-12/h1,6-8H2,2-5H3.
What are the key properties of 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 322.00 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15748689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).