trans-Heptenylboronic acid

C7H15BO2CAS 57404-76-9142.00 g/mol

Open in Covalent MOL file
BOHHO
AlkeneBoronic acid

Properties

Molecular formula
C7H15BO2
Molar mass
142.00 g/mol
Exact mass
142.1165 Da
logP
1.13Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
57404-76-9
SMILES
B(/C=C/CCCCC)(O)O
InChIKey
LDTJUGVTOZBIBN-VOTSOKGWSA-N
InChI
InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+

Weigh it out

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Names and synonyms

1 names
  • (1E)-(Hept-1-en-1-yl)boronic acid

Work with trans-Heptenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

E-1-Octenylboronic acid42599-16-696 % similar trans-Nonenylboronic acid57404-77-096 % similar B-(1E)-1-Hexenylboronic acid42599-18-887 % similar 1-Pentenylboronic acid104376-24-171 % similar (Z)-9-Tricosene27519-02-454 % similar (Z)-3-Nonen-1-ol10340-23-550 % similar 2-Octene111-67-150 % similar 2-Octene13389-42-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl boronic acid pinacol ester94242-85-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook