4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane

C19H27BO3 — CID 175552582

IUPAC4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C=CC3CCOCC3)cc2)OC1(C)C
InChIInChI=1S/C19H27BO3/c1-18(2)19(3,4)23-20(22-18)17-9-7-15(8-10-17)5-6-16-11-13-21-14-12-16/h5-10,16H,11-14H2,1-4H3
InChIKeyJZADWKOVDWPDAX-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.43
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane (PubChem CID 175552582) has the molecular formula C19H27BO3 and a molecular weight of 314.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane
PubChem CID175552582
Molecular FormulaC19H27BO3
Molecular Weight314.23 g/mol
Exact Mass314.21
IUPAC Name4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C=CC3CCOCC3)cc2)OC1(C)C
InChIInChI=1S/C19H27BO3/c1-18(2)19(3,4)23-20(22-18)17-9-7-15(8-10-17)5-6-16-11-13-21-14-12-16/h5-10,16H,11-14H2,1-4H3
InChIKeyJZADWKOVDWPDAX-UHFFFAOYSA-N
XLogP3.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.43
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

N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-4-amine
CID 71113317
4,4,5,5-tetramethyl-2-[4-(oxan-4-yl)phenyl]-1,3,2-dioxaborolane
CID 67249753
4,4,5,5-tetramethyl-2-[4-(oxan-4-ylidenemethyl)phenyl]-1,3,2-dioxaborolane
CID 166487337
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl]aniline
CID 72575172
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
4-[2-(oxan-4-yl)ethenyl]benzonitrile
CID 175589033
2-[4-(3-chloroprop-1-enyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169478276
2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23629516
(1E,3Z,5Z)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]hexa-1,3,5-trien-1-ol
CID 177157847
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
N-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 69267301
2-[4-(4-chlorobut-1-enyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170500133

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane (CID 175552582) is 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(C=CC3CCOCC3)cc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane?
The InChIKey is JZADWKOVDWPDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BO3/c1-18(2)19(3,4)23-20(22-18)17-9-7-15(8-10-17)5-6-16-11-13-21-14-12-16/h5-10,16H,11-14H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 314.23 g/mol, XLogP of 3.43, 3 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-[4-[2-(oxan-4-yl)ethenyl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 175552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).