ethoxy(6-methoxyhex-1-enyl)borinic acid

C9H19BO3 — CID 173192742

IUPACethoxy(6-methoxyhex-1-enyl)borinic acid
SMILESCCOB(O)C=CCCCCOC
InChIInChI=1S/C9H19BO3/c1-3-13-10(11)8-6-4-5-7-9-12-2/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyUTCIAOVJDMCPKC-UHFFFAOYSA-N
MW186.06 g/mol
LogP1.42
Rot. Bonds8

About ethoxy(6-methoxyhex-1-enyl)borinic acid

ethoxy(6-methoxyhex-1-enyl)borinic acid (PubChem CID 173192742) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is ethoxy(6-methoxyhex-1-enyl)borinic acid.

Molecular Properties

Compound Nameethoxy(6-methoxyhex-1-enyl)borinic acid
PubChem CID173192742
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Nameethoxy(6-methoxyhex-1-enyl)borinic acid
SMILESCCOB(O)C=CCCCCOC
InChIInChI=1S/C9H19BO3/c1-3-13-10(11)8-6-4-5-7-9-12-2/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyUTCIAOVJDMCPKC-UHFFFAOYSA-N
XLogP1.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-22-methoxydocos-9-ene
CID 139489496
(Z)-1-methoxynon-4-ene
CID 59123720
chlorooxy(hex-1-enyl)borinic acid
CID 175319248
(E)-12-methoxydodec-2-enoic acid
CID 6473877
hept-1-enylboronic acid
CID 2773442
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1,1-difluoro-6-methoxyhex-1-ene
CID 91005146
(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene
CID 138511621
tris(4-methoxybutyl) borate
CID 59366393
methyl (Z)-7-methoxyhept-3-enoate
CID 117267279
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(E)-18-ethoxyoctadec-3-ene
CID 6437683

Frequently Asked Questions

What is the IUPAC name of ethoxy(6-methoxyhex-1-enyl)borinic acid?
The IUPAC name of ethoxy(6-methoxyhex-1-enyl)borinic acid (CID 173192742) is ethoxy(6-methoxyhex-1-enyl)borinic acid.
What is the SMILES notation for ethoxy(6-methoxyhex-1-enyl)borinic acid?
The canonical SMILES for ethoxy(6-methoxyhex-1-enyl)borinic acid is CCOB(O)C=CCCCCOC.
What is the InChIKey of ethoxy(6-methoxyhex-1-enyl)borinic acid?
The InChIKey is UTCIAOVJDMCPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-3-13-10(11)8-6-4-5-7-9-12-2/h6,8,11H,3-5,7,9H2,1-2H3.
What are the key properties of ethoxy(6-methoxyhex-1-enyl)borinic acid?
ethoxy(6-methoxyhex-1-enyl)borinic acid has a molecular weight of 186.06 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(6-methoxyhex-1-enyl)borinic acid is sourced from PubChem (CID 173192742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).