(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

C24H29BO3 — CID 177392996

IUPAC(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
SMILESC/C(=C\c1ccccc1)C(O)/C(=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H29BO3/c1-18(16-19-12-8-6-9-13-19)22(26)21(17-20-14-10-7-11-15-20)25-27-23(2,3)24(4,5)28-25/h6-17,22,26H,1-5H3/b18-16+,21-17-
InChIKeyGZCUINANSCRCGX-MELVWCACSA-N
MW376.31 g/mol
LogP5.17
Rot. Bonds5

About (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

(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 (PubChem CID 177392996) has the molecular formula C24H29BO3 and a molecular weight of 376.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID177392996
Molecular FormulaC24H29BO3
Molecular Weight376.31 g/mol
Exact Mass376.22
IUPAC Name(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
SMILESC/C(=C\c1ccccc1)C(O)/C(=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H29BO3/c1-18(16-19-12-8-6-9-13-19)22(26)21(17-20-14-10-7-11-15-20)25-27-23(2,3)24(4,5)28-25/h6-17,22,26H,1-5H3/b18-16+,21-17-
InChIKeyGZCUINANSCRCGX-MELVWCACSA-N
XLogP5.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-methyl-3-phenyloxiran-2-yl)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 102221538
4,4,5,5-tetramethyl-2-[(Z)-1-phenylpent-1-en-2-yl]-1,3,2-dioxaborolane
CID 66553482
(E)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 102452468
4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane
CID 10957083
4,4,5,5-tetramethyl-2-[(Z)-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]-1,3,2-dioxaborolane
CID 102455495
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoic acid
CID 171111325
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
CID 13214341
3-(4-benzylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170802449
4,4,5,5-tetramethyl-2-[(1E,3E,5E)-5-methyl-6-phenylhexa-1,3,5-trienyl]-1,3,2-dioxaborolane
CID 177432813
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
CID 10703917
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C(=C\c1ccccc1)C(O)/C(=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (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?
The InChIKey is GZCUINANSCRCGX-MELVWCACSA-N. The full InChI is InChI=1S/C24H29BO3/c1-18(16-19-12-8-6-9-13-19)22(26)21(17-20-14-10-7-11-15-20)25-27-23(2,3)24(4,5)28-25/h6-17,22,26H,1-5H3/b18-16+,21-17-.
What are the key properties of (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?
(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 has a molecular weight of 376.31 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 177392996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).