4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane

C16H23BO3 — CID 153350223

IUPAC4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane
SMILESC=c1cco/c1=C(/C=C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BO3/c1-11(2)10-13(14-12(3)8-9-18-14)17-19-15(4,5)16(6,7)20-17/h8-10H,3H2,1-2,4-7H3/b14-13-
InChIKeyZTNAZMKMNKXDIP-YPKPFQOOSA-N
MW274.17 g/mol
LogP2.44
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane (PubChem CID 153350223) has the molecular formula C16H23BO3 and a molecular weight of 274.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane
PubChem CID153350223
Molecular FormulaC16H23BO3
Molecular Weight274.17 g/mol
Exact Mass274.17
IUPAC Name4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane
SMILESC=c1cco/c1=C(/C=C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BO3/c1-11(2)10-13(14-12(3)8-9-18-14)17-19-15(4,5)16(6,7)20-17/h8-10H,3H2,1-2,4-7H3/b14-13-
InChIKeyZTNAZMKMNKXDIP-YPKPFQOOSA-N
XLogP2.44
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-7-methyl-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-1,4,6-trien-4-ol
CID 153350614
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
4,4,5,5-tetramethyl-2-[(Z)-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]-1,3,2-dioxaborolane
CID 102455495
4,4,5,5-tetramethyl-2-[(2Z,4E,6E)-5-(2-methylprop-1-enyl)-6-[(Z)-prop-1-enyl]nona-2,4,6,8-tetraen-3-yl]-1,3,2-dioxaborolane
CID 145174321
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
4,4,5,5-tetramethyl-2-penta-1,3-dien-2-yl-1,3,2-dioxaborolane
CID 123806894
4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
CID 11196194
N-[(1E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-1,4-dienyl]methanimine
CID 143898116
(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid
CID 70944716
(1E,4E)-2-methyl-1,5-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-1,4-dien-3-ol
CID 177392996
S-[3-(2-formylfuran-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] ethanethioate
CID 170804129
4,4,5,5-tetramethyl-2-[4-(2-methylprop-1-enyl)phenyl]-1,3,2-dioxaborolane
CID 58150672

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane (CID 153350223) is 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane is C=c1cco/c1=C(/C=C(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is ZTNAZMKMNKXDIP-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H23BO3/c1-11(2)10-13(14-12(3)8-9-18-14)17-19-15(4,5)16(6,7)20-17/h8-10H,3H2,1-2,4-7H3/b14-13-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane has a molecular weight of 274.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(1E)-3-methyl-1-(3-methylidenefuran-2-ylidene)but-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 153350223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).