hept-1-enylboronic acid

C7H15BO2 — CID 2773442

IUPAChept-1-enylboronic acid
SMILESCCCCCC=CB(O)O
InChIInChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3
InChIKeyLDTJUGVTOZBIBN-UHFFFAOYSA-N
MW142.01 g/mol
LogP1.13
Rot. Bonds5

About hept-1-enylboronic acid

hept-1-enylboronic acid (PubChem CID 2773442) has the molecular formula C7H15BO2 and a molecular weight of 142.01 g/mol. Its IUPAC name is hept-1-enylboronic acid.

Molecular Properties

Compound Namehept-1-enylboronic acid
PubChem CID2773442
Molecular FormulaC7H15BO2
Molecular Weight142.01 g/mol
Exact Mass142.12
IUPAC Namehept-1-enylboronic acid
SMILESCCCCCC=CB(O)O
InChIInChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3
InChIKeyLDTJUGVTOZBIBN-UHFFFAOYSA-N
XLogP1.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.01
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hept-1-enylboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E,10Z,14E)-icosa-6,10,14-triene
CID 53230462
[(E)-11-hydroxyundec-1-enyl]boronic acid
CID 10987620
ethanol;octadec-9-en-1-ol
CID 173109565
(E)-pentacos-1-en-1-ol
CID 135335589
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
(Z)-pentadec-1-en-1-ol
CID 135331786
(5E,9E)-nonacosa-5,9-diene
CID 56936191
heptadeca-5,9-diene
CID 123203573
(E)-docos-9-en-1-ol
CID 23502502
5-iodopent-1-enylboronic acid
CID 54539048
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972

Frequently Asked Questions

What is the IUPAC name of hept-1-enylboronic acid?
The IUPAC name of hept-1-enylboronic acid (CID 2773442) is hept-1-enylboronic acid.
What is the SMILES notation for hept-1-enylboronic acid?
The canonical SMILES for hept-1-enylboronic acid is CCCCCC=CB(O)O.
What is the InChIKey of hept-1-enylboronic acid?
The InChIKey is LDTJUGVTOZBIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3.
What are the key properties of hept-1-enylboronic acid?
hept-1-enylboronic acid has a molecular weight of 142.01 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-enylboronic acid is sourced from PubChem (CID 2773442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).