4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine

C18H26BNO3 — CID 68698013

IUPAC4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine
SMILESCC1(C)OB(C=Cc2cccc(N3CCOCC3)c2)OC1(C)C
InChIInChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)9-8-15-6-5-7-16(14-15)20-10-12-21-13-11-20/h5-9,14H,10-13H2,1-4H3
InChIKeyRDYWMEIMDNCADU-UHFFFAOYSA-N
MW315.22 g/mol
LogP3.17
Rot. Bonds3

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

4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine (PubChem CID 68698013) has the molecular formula C18H26BNO3 and a molecular weight of 315.22 g/mol. Its IUPAC name is 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine
PubChem CID68698013
Molecular FormulaC18H26BNO3
Molecular Weight315.22 g/mol
Exact Mass315.20
IUPAC Name4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine
SMILESCC1(C)OB(C=Cc2cccc(N3CCOCC3)c2)OC1(C)C
InChIInChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)9-8-15-6-5-7-16(14-15)20-10-12-21-13-11-20/h5-9,14H,10-13H2,1-4H3
InChIKeyRDYWMEIMDNCADU-UHFFFAOYSA-N
XLogP3.17
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]piperazine
CID 58486288
3-(3-morpholin-4-ylphenyl)prop-2-ene-1-thiol
CID 169455965
N-methyl-3-(3-morpholin-4-ylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170815194
morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone
CID 68914754
2-(3-ethynylphenyl)-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanone
CID 161375681
4-(3-morpholin-4-ylphenyl)but-3-enenitrile
CID 170800492
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305
4-[3-(3-azidoprop-1-enyl)phenyl]morpholine
CID 169462503
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523511
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
ethane;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 142617717

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine?
The IUPAC name of 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine (CID 68698013) is 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine?
The canonical SMILES for 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine is CC1(C)OB(C=Cc2cccc(N3CCOCC3)c2)OC1(C)C.
What is the InChIKey of 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine?
The InChIKey is RDYWMEIMDNCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)9-8-15-6-5-7-16(14-15)20-10-12-21-13-11-20/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine?
4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine has a molecular weight of 315.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine is sourced from PubChem (CID 68698013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).