4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane

C18H27BO2 — CID 10957083

IUPAC4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane
SMILESCCCC/C(=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H27BO2/c1-6-7-13-16(14-15-11-9-8-10-12-15)19-20-17(2,3)18(4,5)21-19/h8-12,14H,6-7,13H2,1-5H3/b16-14-
InChIKeyRONDCERPWFYGOK-PEZBUJJGSA-N
MW286.22 g/mol
LogP4.89
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane (PubChem CID 10957083) 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)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane
PubChem CID10957083
Molecular FormulaC18H27BO2
Molecular Weight286.22 g/mol
Exact Mass286.21
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane
SMILESCCCC/C(=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H27BO2/c1-6-7-13-16(14-15-11-9-8-10-12-15)19-20-17(2,3)18(4,5)21-19/h8-12,14H,6-7,13H2,1-5H3/b16-14-
InChIKeyRONDCERPWFYGOK-PEZBUJJGSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.89
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-[(Z)-1-phenylpent-1-en-2-yl]-1,3,2-dioxaborolane
CID 66553482
tributyl-[(Z)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]stannane
CID 177404903
2-[(E,4E)-4-benzylideneoct-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102415954
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-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
CID 154711820
methyl (Z)-2-(benzylamino)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate
CID 102364792
3-(4-ethenylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170800993
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
trimethyl-[(Z)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
CID 102226563
(2E)-2-benzylidenehexanoic acid
CID 5354388
4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]-1,3,2-dioxaborolane
CID 134904589
3-(3-bromophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170802337

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane (CID 10957083) is 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane is CCCC/C(=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane?
The InChIKey is RONDCERPWFYGOK-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H27BO2/c1-6-7-13-16(14-15-11-9-8-10-12-15)19-20-17(2,3)18(4,5)21-19/h8-12,14H,6-7,13H2,1-5H3/b16-14-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane has a molecular weight of 286.22 g/mol, XLogP of 4.89, 5 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)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 10957083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).