(2-ethoxynaphthalen-1-yl)-dimethylborane

C14H17BO — CID 67978534

IUPAC(2-ethoxynaphthalen-1-yl)-dimethylborane
SMILESCCOc1ccc2ccccc2c1B(C)C
InChIInChI=1S/C14H17BO/c1-4-16-13-10-9-11-7-5-6-8-12(11)14(13)15(2)3/h5-10H,4H2,1-3H3
InChIKeyPRTPHSBDWCYIJE-UHFFFAOYSA-N
MW212.10 g/mol
LogP3.20
Rot. Bonds3

About (2-ethoxynaphthalen-1-yl)-dimethylborane

(2-ethoxynaphthalen-1-yl)-dimethylborane (PubChem CID 67978534) has the molecular formula C14H17BO and a molecular weight of 212.10 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-dimethylborane.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-dimethylborane
PubChem CID67978534
Molecular FormulaC14H17BO
Molecular Weight212.10 g/mol
Exact Mass212.14
IUPAC Name(2-ethoxynaphthalen-1-yl)-dimethylborane
SMILESCCOc1ccc2ccccc2c1B(C)C
InChIInChI=1S/C14H17BO/c1-4-16-13-10-9-11-7-5-6-8-12(11)14(13)15(2)3/h5-10H,4H2,1-3H3
InChIKeyPRTPHSBDWCYIJE-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
1-ethoxy-2-methoxynaphthalene
CID 45093938
1-ethoxyphenanthrene
CID 19828992
1-benzyl-2-ethoxynaphthalene
CID 12064074
2-ethoxy-1-ethynylnaphthalene
CID 53434223
lithium;1-ethoxynaphthalene;hydride
CID 174613942
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
CID 106454176
cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
CID 139705954
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-dimethylborane?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-dimethylborane (CID 67978534) is (2-ethoxynaphthalen-1-yl)-dimethylborane.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-dimethylborane?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-dimethylborane is CCOc1ccc2ccccc2c1B(C)C.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-dimethylborane?
The InChIKey is PRTPHSBDWCYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BO/c1-4-16-13-10-9-11-7-5-6-8-12(11)14(13)15(2)3/h5-10H,4H2,1-3H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-dimethylborane?
(2-ethoxynaphthalen-1-yl)-dimethylborane has a molecular weight of 212.10 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-dimethylborane is sourced from PubChem (CID 67978534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).