2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H25BO3 — CID 138968542

IUPAC2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2c(c1)CCC=C2/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H25BO3/c1-18(2)19(3,4)23-20(22-18)12-11-14-7-6-8-15-13-16(21-5)9-10-17(14)15/h7,9-13H,6,8H2,1-5H3/b12-11+
InChIKeyJAYDCMAUKXSEFL-VAWYXSNFSA-N
MW312.22 g/mol
LogP4.21
Rot. Bonds3

About 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 138968542) has the molecular formula C19H25BO3 and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID138968542
Molecular FormulaC19H25BO3
Molecular Weight312.22 g/mol
Exact Mass312.19
IUPAC Name2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2c(c1)CCC=C2/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H25BO3/c1-18(2)19(3,4)23-20(22-18)12-11-14-7-6-8-15-13-16(21-5)9-10-17(14)15/h7,9-13H,6,8H2,1-5H3/b12-11+
InChIKeyJAYDCMAUKXSEFL-VAWYXSNFSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.21
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

6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165471050
4-[2-(4-fluorophenyl)ethyl]-7-methoxy-1,2-dihydronaphthalene
CID 172732247
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153315416
(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
CID 14175471
2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174747907
(E)-8-(6-methoxy-3,4-dihydronaphthalen-1-yl)oct-5-enenitrile
CID 10802790
6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
CID 135016415
[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane
CID 167723396
(3S,3aR)-7-methoxy-3a-methyl-2,3,4,5-tetrahydrocyclopenta[a]naphthalen-3-ol
CID 95562562
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 138968542) is 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc2c(c1)CCC=C2/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JAYDCMAUKXSEFL-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H25BO3/c1-18(2)19(3,4)23-20(22-18)12-11-14-7-6-8-15-13-16(21-5)9-10-17(14)15/h7,9-13H,6,8H2,1-5H3/b12-11+.
What are the key properties of 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 312.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 138968542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).