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

C12H22BIO2 — CID 10958627

IUPAC2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C=C(\I)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H22BIO2/c1-6-7-8-9-10(14)13-15-11(2,3)12(4,5)16-13/h9H,6-8H2,1-5H3/b10-9-
InChIKeyORBAXHKDECLXLZ-KTKRTIGZSA-N
MW336.02 g/mol
LogP4.13
Rot. Bonds4

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

2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 10958627) has the molecular formula C12H22BIO2 and a molecular weight of 336.02 g/mol. Its IUPAC name is 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID10958627
Molecular FormulaC12H22BIO2
Molecular Weight336.02 g/mol
Exact Mass336.08
IUPAC Name2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C=C(\I)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H22BIO2/c1-6-7-8-9-10(14)13-15-11(2,3)12(4,5)16-13/h9H,6-8H2,1-5H3/b10-9-
InChIKeyORBAXHKDECLXLZ-KTKRTIGZSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925
2-[(Z)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10104536
2-[(E)-1-iodo-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87191067
(E)-6-Iodo-1-hexene-1-boronic Acid Pinacol Ester
CID 15260001
2-[(Z)-5-iodopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15657350
2-(5-Iodopent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15748689
2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 52921336
2-(Hex-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416201
2-(Hept-1-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416203
2-(1-Iodo-1-hexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 85345909
2-Hex-1-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodozinc(1+)
CID 92040167

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 10958627) is 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC/C=C(\I)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ORBAXHKDECLXLZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22BIO2/c1-6-7-8-9-10(14)13-15-11(2,3)12(4,5)16-13/h9H,6-8H2,1-5H3/b10-9-.
What are the key properties of 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 336.02 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-iodohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10958627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).