4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane

C18H25BO2 — CID 154711820

IUPAC4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
SMILESCC/C(=C/C=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H25BO2/c1-6-16(14-10-13-15-11-8-7-9-12-15)19-20-17(2,3)18(4,5)21-19/h7-14H,6H2,1-5H3/b13-10+,16-14-
InChIKeyAZGHRLQQCRBMSJ-WSGDEHQQSA-N
MW284.21 g/mol
LogP4.67
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane (PubChem CID 154711820) has the molecular formula C18H25BO2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
PubChem CID154711820
Molecular FormulaC18H25BO2
Molecular Weight284.21 g/mol
Exact Mass284.19
IUPAC Name4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
SMILESCC/C(=C/C=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H25BO2/c1-6-16(14-10-13-15-11-8-7-9-12-15)19-20-17(2,3)18(4,5)21-19/h7-14H,6H2,1-5H3/b13-10+,16-14-
InChIKeyAZGHRLQQCRBMSJ-WSGDEHQQSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
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-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-1,3,2-dioxaborolane
CID 100969380
4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
CID 76819365
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
tributyl-[(Z)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]stannane
CID 177404903
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene
CID 15254375
trimethyl-[(Z)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
CID 102226563
4-methylpenta-1,3-dienylbenzene
CID 3614395
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane (CID 154711820) is 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane is CC/C(=C/C=C/c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane?
The InChIKey is AZGHRLQQCRBMSJ-WSGDEHQQSA-N. The full InChI is InChI=1S/C18H25BO2/c1-6-16(14-10-13-15-11-8-7-9-12-15)19-20-17(2,3)18(4,5)21-19/h7-14H,6H2,1-5H3/b13-10+,16-14-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane has a molecular weight of 284.21 g/mol, XLogP of 4.67, 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-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 154711820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).