2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H20BIO2 — CID 15657350

IUPAC2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C\CCCI)OC1(C)C
InChIInChI=1S/C11H20BIO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h6,8H,5,7,9H2,1-4H3/b8-6-
InChIKeyACABAJZPEYVGJP-VURMDHGXSA-N
MW322.00 g/mol
LogP3.39
Rot. Bonds4

About 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 15657350) has the molecular formula C11H20BIO2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID15657350
Molecular FormulaC11H20BIO2
Molecular Weight322.00 g/mol
Exact Mass322.06
IUPAC Name2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C\CCCI)OC1(C)C
InChIInChI=1S/C11H20BIO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h6,8H,5,7,9H2,1-4H3/b8-6-
InChIKeyACABAJZPEYVGJP-VURMDHGXSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
CID 16217940
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435
2-(But-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739762
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
2-[(1E)-4,4-dimethylpent-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132597985
4,4,5,5-Tetramethyl-2-(2-methylbut-3-en-2-yl)-1,3,2-dioxaborolane
CID 14893005
trans-4,4,5,5-Tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane
CID 5706555

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 15657350) is 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C\CCCI)OC1(C)C.
What is the InChIKey of 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ACABAJZPEYVGJP-VURMDHGXSA-N. The full InChI is InChI=1S/C11H20BIO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h6,8H,5,7,9H2,1-4H3/b8-6-.
What are the key properties of 2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-5-iodopent-1-enyl]-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-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15657350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).