2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H24BIO2 — CID 134950559

IUPAC2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC[C@@](C)(B1OC(C)(C)C(C)(C)O1)c1ccc(I)cc1
InChIInChI=1S/C17H24BIO2/c1-7-12-17(6,13-8-10-14(19)11-9-13)18-20-15(2,3)16(4,5)21-18/h7-11H,1,12H2,2-6H3/t17-/m1/s1
InChIKeyVDOXQQMXEWQCGN-QGZVFWFLSA-N
MW398.09 g/mol
LogP4.76
Rot. Bonds4

About 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134950559) has the molecular formula C17H24BIO2 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID134950559
Molecular FormulaC17H24BIO2
Molecular Weight398.09 g/mol
Exact Mass398.09
IUPAC Name2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC[C@@](C)(B1OC(C)(C)C(C)(C)O1)c1ccc(I)cc1
InChIInChI=1S/C17H24BIO2/c1-7-12-17(6,13-8-10-14(19)11-9-13)18-20-15(2,3)16(4,5)21-18/h7-11H,1,12H2,2-6H3/t17-/m1/s1
InChIKeyVDOXQQMXEWQCGN-QGZVFWFLSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-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

4,4,5,5-tetramethyl-2-[1-[4-(4-methylphenyl)phenyl]-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 177461570
3-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177440124
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3,2-dioxaborolane
CID 154712177
1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
CID 12066232
1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene
CID 154692080
1-(3-bromo-2-methylhex-5-en-3-yl)-4-tert-butylbenzene
CID 57289351
2-(3-iodophenyl)-2-methylpent-4-enenitrile
CID 117049281
N-[4-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-4-yl]-1,1-diphenylmethanimine
CID 88577071
4-[(R)-amino-hydroxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzaldehyde
CID 171191274
2-(4-iodophenyl)-4-methylpent-4-en-2-ol
CID 13328616
4-iodo-N-prop-2-enylaniline
CID 62140116
2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline
CID 167114232

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134950559) is 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC[C@@](C)(B1OC(C)(C)C(C)(C)O1)c1ccc(I)cc1.
What is the InChIKey of 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VDOXQQMXEWQCGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24BIO2/c1-7-12-17(6,13-8-10-14(19)11-9-13)18-20-15(2,3)16(4,5)21-18/h7-11H,1,12H2,2-6H3/t17-/m1/s1.
What are the key properties of 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 398.09 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-iodophenyl)pent-4-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134950559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).