2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H25BO2 — CID 130951837

IUPAC2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCc1ccc(C(C)=CB2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H25BO2/c1-7-14-8-10-15(11-9-14)13(2)12-18-19-16(3,4)17(5,6)20-18/h8-12H,7H2,1-6H3
InChIKeyRCXHMQODWLAIQW-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.28
Rot. Bonds3

About 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 130951837) has the molecular formula C17H25BO2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID130951837
Molecular FormulaC17H25BO2
Molecular Weight272.20 g/mol
Exact Mass272.19
IUPAC Name2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCc1ccc(C(C)=CB2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H25BO2/c1-7-14-8-10-15(11-9-14)13(2)12-18-19-16(3,4)17(5,6)20-18/h8-12H,7H2,1-6H3
InChIKeyRCXHMQODWLAIQW-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172638908
4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane
CID 100969381
diethyl 2-[(E)-2-(4-chlorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]propanedioate
CID 102177888
(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine
CID 168891341
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-(4-ethylphenyl)-2-hydroxyiminoethanone
CID 140529170
4-ethylbenzoyl iodide
CID 89147367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 130951837) is 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCc1ccc(C(C)=CB2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RCXHMQODWLAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BO2/c1-7-14-8-10-15(11-9-14)13(2)12-18-19-16(3,4)17(5,6)20-18/h8-12H,7H2,1-6H3.
What are the key properties of 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 272.20 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 130951837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).