4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane

C18H27BO2 — CID 177396818

IUPAC4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C\[C@H](C)CB1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C18H27BO2/c1-14(12-15(2)16-10-8-7-9-11-16)13-19-20-17(3,4)18(5,6)21-19/h7-12,14H,13H2,1-6H3/b15-12+/t14-/m0/s1
InChIKeyAZZCYYGAOUVIRK-YEQVNJDRSA-N
MW286.22 g/mol
LogP4.82
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane (PubChem CID 177396818) has the molecular formula C18H27BO2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane
PubChem CID177396818
Molecular FormulaC18H27BO2
Molecular Weight286.22 g/mol
Exact Mass286.21
IUPAC Name4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C\[C@H](C)CB1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C18H27BO2/c1-14(12-15(2)16-10-8-7-9-11-16)13-19-20-17(3,4)18(5,6)21-19/h7-12,14H,13H2,1-6H3/b15-12+/t14-/m0/s1
InChIKeyAZZCYYGAOUVIRK-YEQVNJDRSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.82
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

4,4,5,5-tetramethyl-2-[(E)-4-phenyl-2-propan-2-ylpent-3-enyl]-1,3,2-dioxaborolane
CID 154712132
4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane
CID 154712426
2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154718674
4-methylhex-2-en-2-ylbenzene
CID 76543432
1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
CID 132919216
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892
4,4,5,5-tetramethyl-2-[(2R)-2-phenylbutyl]-1,3,2-dioxaborolane
CID 54597883
4-phenylpent-3-ene-1,2-diol
CID 67185961
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
5-phenylhex-4-en-1-yn-3-ol
CID 130127782
4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
CID 11196194
(E)-2-[dimethyl(phenyl)silyl]-4-phenylpent-3-en-1-ol
CID 11011919

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane (CID 177396818) is 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane is C/C(=C\[C@H](C)CB1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane?
The InChIKey is AZZCYYGAOUVIRK-YEQVNJDRSA-N. The full InChI is InChI=1S/C18H27BO2/c1-14(12-15(2)16-10-8-7-9-11-16)13-19-20-17(3,4)18(5,6)21-19/h7-12,14H,13H2,1-6H3/b15-12+/t14-/m0/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane has a molecular weight of 286.22 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 177396818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).