[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane

C16H19BO2 — CID 142377515

IUPAC[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane
SMILESC=Cc1cc2ccccc2c(B(O)O)c1C=C.CC
InChIInChI=1S/C14H13BO2.C2H6/c1-3-10-9-11-7-5-6-8-13(11)14(15(16)17)12(10)4-2;1-2/h3-9,16-17H,1-2H2;1-2H3
InChIKeyFOZWIAKBKFRPCZ-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.83
Rot. Bonds3

About [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane

[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane (PubChem CID 142377515) has the molecular formula C16H19BO2 and a molecular weight of 254.14 g/mol. Its IUPAC name is [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane.

Molecular Properties

Compound Name[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane
PubChem CID142377515
Molecular FormulaC16H19BO2
Molecular Weight254.14 g/mol
Exact Mass254.15
IUPAC Name[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane
SMILESC=Cc1cc2ccccc2c(B(O)O)c1C=C.CC
InChIInChI=1S/C14H13BO2.C2H6/c1-3-10-9-11-7-5-6-8-13(11)14(15(16)17)12(10)4-2;1-2/h3-9,16-17H,1-2H2;1-2H3
InChIKeyFOZWIAKBKFRPCZ-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate
CID 150256268
1-[2,3,5,6-tetrakis(ethenyl)phenyl]naphthalene
CID 123541767
2,3-bis(ethenyl)phenanthrene
CID 144756778
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid
CID 143152304
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
1-ethenylnaphthalene;propane
CID 90732485
9-[2,3-bis(ethenyl)-4-phenanthren-9-ylnaphthalen-1-yl]phenanthrene
CID 143856224
4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol
CID 177224717
phenanthren-9-ylboronic acid
CID 158011086

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane?
The IUPAC name of [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane (CID 142377515) is [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane.
What is the SMILES notation for [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane?
The canonical SMILES for [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane is C=Cc1cc2ccccc2c(B(O)O)c1C=C.CC.
What is the InChIKey of [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane?
The InChIKey is FOZWIAKBKFRPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BO2.C2H6/c1-3-10-9-11-7-5-6-8-13(11)14(15(16)17)12(10)4-2;1-2/h3-9,16-17H,1-2H2;1-2H3.
What are the key properties of [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane?
[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane has a molecular weight of 254.14 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane is sourced from PubChem (CID 142377515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).